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Combined display of all available logs of AlchemistryWiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).
(newest | oldest) View (newer 500 | older 500) (20 | 50 | 100 | 250 | 500)- 03:15, 28 June 2017 User account Void talk contribs was created
- 05:55, 26 June 2017 User account Void talk contribs was created
- 23:22, 24 June 2017 User account Void talk contribs was created
- 08:44, 23 June 2017 User account Void talk contribs was created
- 20:21, 22 June 2017 User account Void talk contribs was created
- 18:02, 22 June 2017 User account Void talk contribs was created
- 20:40, 20 June 2017 User account Void talk contribs was created
- 21:20, 14 June 2017 User account Void talk contribs was created
- 03:45, 9 June 2017 User account Void talk contribs was created
- 12:20, 4 June 2017 User account Void talk contribs was created
- 08:09, 1 June 2017 User account Void talk contribs was created
- 08:14, 31 May 2017 User account Void talk contribs was created
- 16:14, 28 May 2017 User account Void talk contribs was created
- 11:55, 17 May 2017 User account Void talk contribs was created
- 09:28, 28 April 2017 User account Void talk contribs was created
- 08:56, 28 April 2017 User account Void talk contribs was created
- 03:30, 26 April 2017 User account Void talk contribs was created
- 05:18, 17 April 2017 User account Void talk contribs was created
- 04:13, 23 February 2017 Matteo talk contribs uploaded a new version of File:InputFiles ABFE GMX2016.zip
- 13:04, 22 February 2017 Matteo talk contribs uploaded a new version of File:InputFiles ABFE GMX2016.zip (comment added in the bash scripts)
- 05:50, 20 February 2017 Matteo talk contribs uploaded File:Cp xvg.sh.zip (simple example script to add to the tutorial "Absolute Free Energy Calculations - Gromacs 2016")
- 05:43, 20 February 2017 Matteo talk contribs uploaded File:Results HREX ABFE GMX2016.zip (Example alchemical_analysis.py results (sims with HREX) for the tutorial "Absolute Binding Free Energy - Gromacs 2016")
- 05:39, 20 February 2017 Matteo talk contribs uploaded File:Results ABFE GMX2016.zip (Sample results for the tutorial "Absolute Binding Free Energy - Gromacs 2016")
- 05:26, 20 February 2017 Matteo talk contribs uploaded a new version of File:Therm cycle.pdf (png)
- 05:20, 20 February 2017 Matteo talk contribs uploaded File:Therm cycle.pdf (Thermodynamic cycle shown in the tutorial "Absolute Binding Free Energy - Gromacs 2016")
- 05:17, 20 February 2017 Matteo talk contribs uploaded File:InputFiles ABFE GMX2016.zip (Input files for the tutorial "Absolute Binding Free Energy - Gromacs 2016")
- 20:31, 16 February 2017 User account Void talk contribs was created
- 08:00, 8 February 2017 User account Void talk contribs was created
- 01:24, 25 January 2017 User account Void talk contribs was created
- 04:40, 12 January 2017 User account Void talk contribs was created
- 06:02, 6 January 2017 User account Void talk contribs was created
- 14:49, 4 January 2017 User account VitC talk contribs was created
- 06:58, 24 December 2016 User account Birchshade71 talk contribs was created
- 04:42, 22 December 2016 User account Rubtower52 talk contribs was created
- 05:28, 20 December 2016 User account Bonespain84 talk contribs was created
- 17:01, 1 December 2016 Void talk contribs moved page Aliens re Gods, Aliens Angels - UFO in Orthodoxy, UFO in religion, aliens christianity (Diezel Sun) to Aliens are Gods, Aliens Angels - UFO in Orthodoxy, UFO in religion, aliens christianity (Diezel Sun)
- 16:41, 1 December 2016 User account Void talk contribs was created
- 18:44, 19 November 2016 User account Elquimist talk contribs was created
- 00:21, 8 November 2016 User account Void talk contribs was created
- 01:53, 26 October 2016 User account Void talk contribs was created
- 00:34, 17 October 2016 User account Void talk contribs was created
- 06:00, 14 October 2016 User account Europebrace3 talk contribs was created
- 19:13, 28 September 2016 David Mobley talk contribs uploaded File:Vertex talk 5 15 2016 clean3.pdf (Robert Abel partial slides from Vertex workshop)
- 05:59, 25 September 2016 User account Void talk contribs was created
- 16:37, 15 September 2016 User account Shamim talk contribs was created
- 00:50, 12 September 2016 User account Void talk contribs was created
- 00:08, 2 September 2016 User account Void talk contribs was created
- 01:51, 29 August 2016 User account Void talk contribs was created
- 23:50, 22 August 2016 User account Void talk contribs was created
- 01:09, 20 August 2016 User account Void talk contribs was created
- 11:17, 12 August 2016 User account Samar jhu talk contribs was created
- 10:30, 10 August 2016 User account MartinOlsson talk contribs was created
- 00:57, 3 August 2016 User account Void talk contribs was created
- 02:30, 28 July 2016 User account Void talk contribs was created
- 13:45, 24 July 2016 User account ThorntonKlavsen67 talk contribs was created
- 09:25, 18 July 2016 User account OrrSheehan74 talk contribs was created
- 02:35, 16 July 2016 User account Levy75Fischer talk contribs was created
- 11:47, 15 July 2016 User account Richardson92Velling talk contribs was created
- 10:52, 13 July 2016 User account Rafal.wiewiora talk contribs was created
- 11:06, 11 July 2016 User account DowlingRaynor98 talk contribs was created
- 06:31, 6 July 2016 User account Bigginpc talk contribs was created
- 04:12, 2 July 2016 User account Void talk contribs was created
- 04:14, 28 June 2016 User account Void talk contribs was created
- 13:09, 19 June 2016 User account Sridharajanardhan talk contribs was created
- 19:21, 8 June 2016 David Mobley talk contribs uploaded File:Poster LaurentiuSpiridon.pdf
- 19:20, 8 June 2016 David Mobley talk contribs uploaded File:Vertex FreeEnergyWorkshop2016 AV.pdf
- 19:19, 8 June 2016 David Mobley talk contribs uploaded File:Vertex-workshop-Baofeng-Zhang-51316.pdf
- 22:45, 26 May 2016 David Mobley talk contribs uploaded File:2016 Vertex.pdf (Mobley's 2016 Vertex talk)
- 10:58, 22 May 2016 User account J a schrodinger talk contribs was created
- 15:11, 20 May 2016 John Chodera talk contribs uploaded File:YANK-tutorial-2016-05-20.pdf (YANK tutorial slides presented at 2016 Markov state models and kinetics in drug discovery workshop at Novartis.)
- 14:16, 20 May 2016 Michael Shirts talk contribs uploaded File:Sampling Discussion.pdf (Summary of the sampling discussion on Tuesday afternoon)
- 22:28, 17 May 2016 User account Guille.perez talk contribs was created
- 21:20, 17 May 2016 User account Cindyyan talk contribs was created
- 23:28, 16 May 2016 User account Skirmizi talk contribs was created
- 04:25, 16 May 2016 User account Ataul80 talk contribs was created
- 19:38, 15 May 2016 User account Marinamaral talk contribs was created
- 13:09, 15 May 2016 John Chodera talk contribs uploaded File:VertexComputationalChemist JobFlyer.pdf (Vertex - Research Scientist I, Computational Chemist/Modeling and Informatics (posted 2016-05-15))
- 11:50, 15 May 2016 John Chodera talk contribs uploaded File:Merck Serono postdoctoral researcher in computational chemistry and molecular dynamics.pdf (Merck Serono postdoctoral researcher in computational chemistry and molecular dynamics - 2016-05-15)
- 11:48, 15 May 2016 John Chodera talk contribs uploaded File:Merck Serono postdoctoral researcher for predictive models in drug design.pdf (Merck Serono postdoctoral researcher for predictive models in drug design - 2016-06-15)
- 01:14, 28 April 2016 User account Ton2judo talk contribs was created
- 01:11, 28 April 2016 User account Void talk contribs was created
- 13:01, 22 April 2016 User account Karmacost talk contribs was created
- 20:02, 17 April 2016 User account Gregoryrbowman talk contribs was created
- 00:37, 6 April 2016 User account Jadzia2341 talk contribs was created
- 09:31, 28 March 2016 User account Void talk contribs was created
- 09:29, 28 March 2016 User account Void talk contribs was created
- 10:48, 24 March 2016 User account Cweinberger talk contribs was created
- 13:42, 15 March 2016 User account Earnoult talk contribs was created
- 19:08, 10 March 2016 Mjschnie talk contribs uploaded File:Astex.png
- 19:07, 10 March 2016 Mjschnie talk contribs uploaded File:CCG.png
- 19:07, 10 March 2016 Mjschnie talk contribs uploaded File:OpenEye.png
- 19:07, 10 March 2016 Mjschnie talk contribs uploaded File:Pfizer.png
- 19:01, 10 March 2016 Mjschnie talk contribs uploaded File:Laufer.png
- 19:01, 10 March 2016 Mjschnie talk contribs uploaded File:Schrodinger.png
- 18:59, 10 March 2016 Mjschnie talk contribs uploaded File:Holden.png
- 18:36, 10 March 2016 Mjschnie talk contribs uploaded File:Vertex.png
- 18:11, 17 February 2016 User account Kwonglynn talk contribs was created
- 07:22, 25 January 2016 User account Bech85Mcguire talk contribs was created
- 06:38, 25 January 2016 User account MohamedSchultz3 talk contribs was created
- 02:28, 25 January 2016 User account DegnHerrera89 talk contribs was created
- 00:16, 25 January 2016 User account BushOrr67 talk contribs was created
- 01:18, 24 January 2016 User account HaleyFuller92 talk contribs was created
- 21:34, 23 January 2016 User account CovingtonShaffer7 talk contribs was created
- 18:07, 23 January 2016 User account JuarezAllen25 talk contribs was created
- 18:00, 23 January 2016 User account McclainMcclain2 talk contribs was created
- 17:52, 23 January 2016 User account ForrestGillespie16 talk contribs was created
- 17:38, 23 January 2016 User account McCulloughWeaver04 talk contribs was created
- 10:35, 23 January 2016 User account Hede31Hede talk contribs was created
- 16:42, 22 January 2016 User account DowneyTimmermann7 talk contribs was created
- 16:01, 22 January 2016 User account BullardBjerre4 talk contribs was created
- 15:56, 22 January 2016 User account WhiteMcKinnon10 talk contribs was created
- 14:33, 21 January 2016 User account Kkmilovv talk contribs was created
- 06:18, 18 January 2016 User account ReesBolton8 talk contribs was created
- 03:08, 18 January 2016 User account FinkFink29 talk contribs was created
- 21:39, 17 January 2016 Lnaden talk contribs merged the user account "LnadenTest2" (640) into Void (634)
- 21:39, 17 January 2016 Lnaden talk contribs deleted the user account "LnadenTest2" (640)
- 21:39, 17 January 2016 User account Void talk contribs was created
- 21:36, 17 January 2016 Lnaden talk contribs merged the user account "LNadenTest2" (639) into Void (634)
- 21:36, 17 January 2016 Lnaden talk contribs deleted the user account "LNadenTest2" (639)
- 21:35, 17 January 2016 User account Void talk contribs was created
- 13:28, 23 October 2015 Mjschnie talk contribs moved page 2016 Summit and Workshop on Free Energy Methods in Drug Design to 2016 Workshop on Free Energy Methods in Drug Design: Targeting Cancer
- 13:45, 21 October 2015 User account LnadenTest talk contribs was created
- 16:45, 14 September 2015 User account Stephen.lucore talk contribs was created
- 09:13, 14 September 2015 User account Mjschnie talk contribs was created
- 08:09, 7 September 2015 User account Ds talk contribs was created
- 10:24, 19 December 2014 Lnaden talk contribs merged the user account "BernardDuhig" (622) into Void (634)
- 10:24, 19 December 2014 Lnaden talk contribs deleted the user account "BernardDuhig" (622)
- 10:24, 19 December 2014 Lnaden talk contribs unblocked Void talk contribs
- 10:24, 19 December 2014 Lnaden talk contribs merged the user account "MarkMadigan" (623) into Void (634)
- 10:24, 19 December 2014 Lnaden talk contribs deleted the user account "MarkMadigan" (623)
- 10:24, 19 December 2014 Lnaden talk contribs unblocked Void talk contribs
- 10:24, 19 December 2014 Lnaden talk contribs merged the user account "SherrieLoo" (624) into Void (634)
- 10:24, 19 December 2014 Lnaden talk contribs deleted the user account "SherrieLoo" (624)
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- 10:23, 19 December 2014 Lnaden talk contribs merged the user account "TuyetTijerina" (625) into Void (634)
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- 10:23, 19 December 2014 Lnaden talk contribs unblocked Void talk contribs
- 10:23, 19 December 2014 Lnaden talk contribs merged the user account "FlorencZerangue" (626) into Void (634)
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- 10:22, 19 December 2014 Lnaden talk contribs merged the user account "LeonelGreenough" (627) into Void (634)
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- 10:22, 19 December 2014 Lnaden talk contribs merged the user account "STUUnabdtnj" (628) into Void (634)
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- 10:22, 19 December 2014 Lnaden talk contribs unblocked Void talk contribs
- 10:22, 19 December 2014 Lnaden talk contribs merged the user account "GenevaHeim" (629) into Void (634)
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- 10:21, 19 December 2014 Lnaden talk contribs merged the user account "DalenePendley" (630) into Void (634)
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- 10:17, 19 December 2014 Lnaden talk contribs merged the user account "StephenFoote" (583) into Void (634)
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- 10:17, 19 December 2014 Lnaden talk contribs merged the user account "Zephyr91box" (593) into Void (634)
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- 10:12, 19 December 2014 Lnaden talk contribs merged the user account "Piscesnickel0" (605) into Void (634)
- 10:12, 19 December 2014 Lnaden talk contribs unblocked Void talk contribs
- 10:12, 19 December 2014 Lnaden talk contribs merged the user account "Atomoil3" (606) into Void (634)
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- 10:11, 19 December 2014 Lnaden talk contribs unblocked Void talk contribs (Pre-merge)
- 10:11, 19 December 2014 Lnaden talk contribs merged the user account "Gardenprose75" (607) into Void (634)
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- 10:10, 19 December 2014 Lnaden talk contribs unblocked Void talk contribs (Pre-merge)
- 10:10, 19 December 2014 Lnaden talk contribs merged the user account "Digger14barber" (609) into Void (634)
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- 10:06, 19 December 2014 Lnaden talk contribs merged the user account "Butter2joke" (616) into Void (634)
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- 10:06, 19 December 2014 Lnaden talk contribs unblocked Void talk contribs
- 10:05, 19 December 2014 Lnaden talk contribs merged the user account "Pushcomb1" (617) into Void (634)
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- 10:05, 19 December 2014 Lnaden talk contribs unblocked Void talk contribs (merge unblock)
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- 10:04, 19 December 2014 Lnaden talk contribs unblocked Void talk contribs (Testing merge)
- 09:59, 19 December 2014 Lnaden talk contribs deleted page User:Carrie2H (Vandalism)
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- 09:57, 19 December 2014 Lnaden talk contribs deleted page User:Barbecue (Vandalism)
- 09:56, 19 December 2014 Lnaden talk contribs deleted page User:Businesscomputerinternetmarketingonline327 (Vandalism)
- 09:54, 19 December 2014 Lnaden talk contribs blocked Void talk contribs with an expiration time of indefinite (account creation disabled, autoblock disabled, email disabled) (this is the null account all spam users will be merged into for clean up purposes.)
- 09:53, 19 December 2014 User account Void talk contribs was created
- 08:15, 19 December 2014 Lnaden talk contribs deleted page Potential Helps Cure Discovered By Australian MEDICAL SCIENTISTS Modifies HIV Proteins VIDEO (Vandalism)
- 08:15, 19 December 2014 Lnaden talk contribs deleted page User talk:GenevaHeim (Vandalism)
- 08:14, 19 December 2014 Lnaden talk contribs deleted page Top 5 Ways To Buy A Used low Carb Diet Trackers Free (Vandalism)
- 08:14, 19 December 2014 Lnaden talk contribs deleted page User talk:MargareRhoades (Vandalism)
- 08:14, 19 December 2014 Lnaden talk contribs deleted page How To Learn low Carb Diet How Many Can I Have A Day (Vandalism)
- 08:13, 19 December 2014 Lnaden talk contribs deleted page User talk:FlorencZerangue (Vandalism)
- 08:13, 19 December 2014 Lnaden talk contribs deleted page Vitamix Skilled Collection 500 Blender (Vandalism)
- 08:12, 19 December 2014 Lnaden talk contribs deleted page User talk:SherrieLoo (Vandalism)
- 08:12, 19 December 2014 Lnaden talk contribs deleted page User talk:MarkMadigan (Vandalism)
- 08:10, 19 December 2014 Lnaden talk contribs deleted page User:DalenePendley (Vandalism)
- 08:10, 19 December 2014 Lnaden talk contribs deleted page Other Forms Of Psychic Reading (Vandalism)
- 08:10, 19 December 2014 Lnaden talk contribs deleted page User talk:BernardDuhig (Vandalism)
- 08:08, 19 December 2014 Lnaden talk contribs blocked BernardDuhig talk with an expiration time of indefinite (account creation disabled, email disabled) (Spamming links to external sites)
- 08:08, 19 December 2014 Lnaden talk contribs blocked MarkMadigan talk with an expiration time of indefinite (account creation disabled, email disabled) (Spamming links to external sites)
- 08:08, 19 December 2014 Lnaden talk contribs blocked SherrieLoo talk with an expiration time of indefinite (account creation disabled, email disabled) (Spamming links to external sites)
- 08:07, 19 December 2014 Lnaden talk contribs blocked TuyetTijerina talk with an expiration time of indefinite (account creation disabled) (Spamming links to external sites)
- 08:07, 19 December 2014 Lnaden talk contribs blocked FlorencZerangue talk with an expiration time of indefinite (account creation disabled, email disabled) (Spamming links to external sites)
- 08:07, 19 December 2014 Lnaden talk contribs blocked LeonelGreenough talk with an expiration time of indefinite (account creation disabled, email disabled) (Spamming links to external sites)
- 08:07, 19 December 2014 Lnaden talk contribs blocked STUUnabdtnj talk with an expiration time of indefinite (account creation disabled, email disabled) (Spamming links to external sites)
- 08:07, 19 December 2014 Lnaden talk contribs blocked GenevaHeim talk with an expiration time of indefinite (account creation disabled) (Spamming links to external sites)
- 08:06, 19 December 2014 Lnaden talk contribs blocked DalenePendley talk with an expiration time of indefinite (account creation disabled, email disabled) (Spamming links to external sites)
- 08:06, 19 December 2014 Lnaden talk contribs blocked SybilMullaly talk with an expiration time of indefinite (account creation disabled, email disabled) (Spamming links to external sites)
- 08:06, 19 December 2014 Lnaden talk contribs blocked MargareRhoades talk with an expiration time of indefinite (account creation disabled, email disabled) (Spamming links to external sites)
- 08:05, 19 December 2014 Lnaden talk contribs blocked DanutaVerran talk with an expiration time of indefinite (account creation disabled, email disabled) (Spamming links to external sites)
- 07:13, 19 December 2014 User account Void talk contribs was created
- 07:08, 19 December 2014 User account Void talk contribs was created
- 06:36, 19 December 2014 User account Void talk contribs was created
- 06:27, 19 December 2014 User account Void talk contribs was created
- 05:35, 19 December 2014 User account Void talk contribs was created
- 04:44, 19 December 2014 User account Void talk contribs was created
- 04:41, 19 December 2014 User account Void talk contribs was created
- 04:03, 19 December 2014 User account Void talk contribs was created
- 03:48, 19 December 2014 User account Void talk contribs was created
- 01:25, 19 December 2014 User account Void talk contribs was created
- 22:36, 18 December 2014 User account Void talk contribs was created
- 20:21, 18 December 2014 User account Void talk contribs was created
- 19:30, 18 December 2014 Lnaden talk contribs uploaded File:2014 Vertex Mobley.pdf (David Mobley's slides. Recovered from before the pre-spam backup restore.)
- 15:42, 16 June 2014 Matteo talk contribs uploaded a new version of File:T4+nphenylglicinonitrile complex.results.doc
- 13:04, 16 June 2014 Daveminh talk contribs uploaded File:Protein-Ligand Binding Free Energies for the Masses.pdf
- 10:13, 14 June 2014 Matteo talk contribs uploaded a new version of File:InputFiles T4 lysozyme+nphenylglicinonitrile.tar.gz
- 10:08, 13 June 2014 Cneale talk contribs uploaded File:Neale Vertex 2014.pptx
- 13:50, 30 May 2014 User account Egallicchio talk contribs was created
- 22:17, 29 May 2014 Grocklin talk contribs uploaded File:GabrielRocklin2014-PeriodicityArtifacts.pdf (2014 Free Energy Workshop slides)
- 22:15, 29 May 2014 User account Grocklin talk contribs was created
- 20:01, 29 May 2014 Michael Shirts talk contribs uploaded File:Boston FEC 051914 06 RonLevy.pptx (Ron Levy Presentation, 2014 Workshop on Free Energy Methods in Drug Design)
- 10:19, 25 May 2014 Michael Shirts talk contribs uploaded File:Shirts Workshop dG Methods 2014.pdf (Michael Shirts's talk from Wednesday, May 21st, 2014 at the Workshop for Free Energy Methods in Drug Design)
- 13:22, 21 May 2014 Lnaden talk contribs deleted page User:StephenFoote (Vandalism: content was: "I like Knitting. <br>I to learn Turkish in my free time.<br><br>Feel free to visit my web-site - [http://www.adazing.com/ book cover design]" (and the only contributor was "StephenFoote"))
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- 11:09, 18 May 2014 Michael Shirts talk contribs uploaded File:FKBP desmond.tgz (Desmond compatible files for running FKBP.)
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- 06:24, 14 March 2014 Matteo talk contribs uploaded File:T4+nphenylglicinonitrile ligand.results.doc (Summary of results for the ligand in water calculations in the tutorial GROMACS 4.6. n-phenylglicinonitrile with T4 lysozyme)
- 06:22, 14 March 2014 Matteo talk contribs uploaded File:T4+nphenylglicinonitrile complex.results.doc (Summary of results for the complex calculations in the tutorial GROMACS 4.6. n-phenylglicinonitrile with T4 lysozyme)
- 06:10, 14 March 2014 Matteo talk contribs uploaded File:InputFiles T4 lysozyme+nphenylglicinonitrile.tar.gz (Input files for GROMACS 4.6 tutorial n-phenylglicinonitrile and T4 lysozyme)
- 06:06, 14 March 2014 Matteo talk contribs uploaded a new version of File:Absolute n-phenylglicinonitrile T4 lysozyme cycle.pdf (.png version)
- 06:02, 14 March 2014 Matteo talk contribs uploaded File:Absolute n-phenylglicinonitrile T4 lysozyme cycle.pdf (Thermodynamic cycle for GROMACS 4.6 tutorial on absolute binding free energy of n-phenylglicinonitrile to T4 lysozyme)
- 17:16, 11 March 2014 User account Cabb99 talk contribs was created
- 17:08, 11 March 2014 David Mobley talk contribs uploaded File:CCP.zip (CCP model binding site minimal set of inputs)
- 19:41, 7 March 2014 David Mobley talk contribs uploaded File:Minimal.tar.gz (T4 L99A/M102Q minimal set of topology/coordinate files.)
- 09:35, 5 March 2014 User account Schaumbe talk contribs was created
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- 21:35, 22 December 2013 John Chodera talk contribs uploaded File:Hindered-sidechain-torsion.png (Replica trajectories for the <math>\chi_1</math> angle of T4 lysozyme L99A binding to p-xylene in a Hamiltonian exchange simulation of an absolute alchemical free energy calculation in implicit solvent.)
- 21:05, 22 December 2013 John Chodera talk contribs uploaded File:Gelman-rubin-z-score.png
- 21:04, 22 December 2013 John Chodera talk contribs uploaded File:Gelman-rubin.png
- 20:50, 22 December 2013 John Chodera talk contribs uploaded File:Replica-round-trips.png (Illustration of three replica trajectories in thermodynamic state index (y-axis) plotted as a function of simulation time (x-axis) for a Hamiltonian exchange absolute alchemical free energy calculation for p-xylene binding to T4 lysozyme L99A.)
- 17:03, 22 December 2013 John Chodera talk contribs uploaded File:Automated-equilibration-detection.png (Top: Statistical inefficiency <math>g</math>. Bottom: Number of effectively uncorrelated samples <math>N_{eff}</math>.)
- 15:44, 22 December 2013 John Chodera talk contribs uploaded File:Hamiltonian-exchange-reduced-potential.png (Reduced potential as a function of iteration for Hamiltonian exchange simulation, computed as : <math> u(X_t) = \sum_{k=1}^K u_{s_{kt}}(x_{kt}) </math> where <math>u_i(x)</math> is the reduced potential for thermodynamic state index <math>i</math> and ...)
- 02:05, 21 November 2013 User account Void talk contribs was created
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- 17:33, 26 September 2013 Michael Shirts talk contribs uploaded a new version of File:Expanded.mdp (Made the single precision soft core parameters the default.)
- 17:29, 26 September 2013 Michael Shirts talk contribs uploaded a new version of File:Ethanol.mdp (Changed soft core parameters to default to good ones for single precision.)
- 08:57, 11 August 2013 User account Void talk contribs was created
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- 12:14, 27 July 2013 Michael Shirts talk contribs uploaded File:FKBP AMBER GAFF.tgz (Input files for ligands LG2,LG3, LG5, LG8, LG9, L12, L14, L20 bound to FKBP.)
- 15:15, 17 July 2013 User account Aksharma talk contribs was created
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- 12:42, 14 July 2013 User account Mkgilson talk contribs was created
- 07:43, 13 July 2013 Michael Shirts talk contribs uploaded a new version of File:Ligandtranslate.png
- 07:37, 13 July 2013 Michael Shirts talk contribs uploaded File:Ligandtranslate.png
- 17:28, 11 July 2013 Lnaden talk contribs uploaded File:Samplecode.png (Quick image for sample code used in the How-to box)
- 08:11, 28 June 2013 User account Dejun talk contribs was created
- 19:41, 7 June 2013 User account Archerapril talk contribs was created
- 22:28, 1 June 2013 Michael Shirts talk contribs uploaded a new version of File:Expanded.mdp (Made changes in defaults that work better for larger ligands)
- 14:08, 23 May 2013 Michael Shirts talk contribs uploaded a new version of File:Expanded.mdp (fixing tcouple (upload again).)
- 14:05, 23 May 2013 Michael Shirts talk contribs uploaded a new version of File:Expanded.mdp
- 14:04, 23 May 2013 Michael Shirts talk contribs uploaded a new version of File:Expanded.mdp (fixed typo in tcoupl)
- 13:07, 17 May 2013 Michael Shirts talk contribs uploaded a new version of File:Expanded.mdp (Suggestions for running in single precision)
- 21:28, 15 April 2013 Michael Shirts talk contribs moved page Gromacs 4.6 example: Direct ethanol solvation free energy to GROMACS 4.6 example: Direct ethanol solvation free energy (fixing capitalization)
- 21:27, 15 April 2013 Michael Shirts talk contribs moved page Gromacs 4.6 example: Ethanol solvation with expanded ensemble to GROMACS 4.6 example: Ethanol solvation with expanded ensemble (fixing calculation)
- 21:25, 15 April 2013 Michael Shirts talk contribs uploaded File:Expanded.mdp (File for running expanded ensemble calculations)
- 07:27, 15 April 2013 User account Bltlb talk contribs was created
- 08:46, 29 March 2013 User account Spiwokv talk contribs was created
- 12:51, 12 March 2013 User account Lunadrift talk contribs was created
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- 10:09, 21 February 2013 User account ReinierAkkermans talk contribs was created
- 21:24, 14 February 2013 Michael Shirts talk contribs moved page Free Energy Introduction to Free Energy Fundamentals (match the category title)
- 21:24, 14 February 2013 Michael Shirts talk contribs deleted page Free Energy Introduction (Deleted to make way for move)
- 21:24, 14 February 2013 Michael Shirts talk contribs moved page Theoretic Principles to Free Energy Introduction (Create it as an introduction page)
- 11:01, 5 February 2013 Michael Shirts talk contribs moved page Gromacs ethanol direct 46 to Gromacs 4.6 example: Direct ethanol solvation free energy (More descriptive page)
- 21:50, 23 January 2013 Michael Shirts talk contribs uploaded a new version of File:Ethanol.mdp (added the calc-lambda-neighbors keyword now required in 4.6)
- 09:21, 9 January 2013 User account ElijahCarson talk contribs was created
- 12:50, 4 January 2013 User account Bszimmerman talk contribs was created
- 16:43, 3 January 2013 Michael Shirts talk contribs uploaded File:Ethanol.mdp (Gromacs .mdp file for ethanol free energy calculations. This will need to be copied to nine new files, one for each value of the lambda coupling variable init_fep_lambda)
- 16:11, 3 January 2013 Michael Shirts talk contribs uploaded File:Ethanol.top (Gromacs .top file for Ethanol in TIP3P water parameterized with OPLS-AA)
- 16:09, 3 January 2013 Michael Shirts talk contribs uploaded File:Ethanol.gro (A gro file for ethanol in water.)
- 10:57, 26 October 2012 Lnaden talk contribs uploaded File:T4-Tol-Imp-Well.png (Added a well to the T4-Toluene system)
- 10:36, 26 October 2012 Lnaden talk contribs uploaded File:T4-Tol-Pull.gif (Pulling animation for toluene)
- 14:20, 25 October 2012 Lnaden talk contribs uploaded File:Implicit color.png (Empty Implicit Solvent Box)
- 14:15, 25 October 2012 Lnaden talk contribs uploaded File:T4-Imp.png (T4 in implicit solvent without toluene present)
- 14:14, 25 October 2012 Lnaden talk contribs uploaded File:T4-Tol-Imp.png (T4 Lysozyme and Toluene in an implicit solvent)
- 14:13, 25 October 2012 Lnaden talk contribs uploaded File:Tol-Nosol.png (Toluene up close, again but for tandem use with example)
- 14:12, 25 October 2012 Lnaden talk contribs uploaded File:Tol-Imp.png (Implicit solvent toluene)
- 12:04, 25 October 2012 Lnaden talk contribs moved page Example: Solvation of OPLS-AA Ethanol in TIP3P Water to Example: Absolute Solvation Free Energy (Moved to a more descriptive title)
- 11:37, 25 October 2012 Lnaden talk contribs moved page Example: Binding to T4 Lysozyme to Example: Relative Binding Affinity (Moved to a more descriptive title)
- 01:22, 25 October 2012 User account Corrinla talk contribs was created
- 16:47, 16 October 2012 Lnaden talk contribs uploaded File:Ethanol in vac small.png (Ethanol in a vacuum environment, small picture to better see whats going on. Rendered in VMD)
- 16:46, 16 October 2012 Lnaden talk contribs uploaded File:TIP3P-Ethanol small.png (Small water box with an ethanol in place. Not equilibrated, rendered in VMD)
- 16:45, 16 October 2012 Lnaden talk contribs uploaded File:TIP3PBox small.png (small TIP3PBox with an ethanol cavity. Not equilibrated, rendered in VMD)
- 16:37, 10 October 2012 Lnaden talk contribs uploaded File:Toluene Phenol Topology.png
- 13:54, 10 October 2012 Lnaden talk contribs uploaded File:Doublearrowupdown.png (Double arrow, pointing down and up)
- 09:54, 10 October 2012 Lnaden talk contribs uploaded File:Blackbox.png (A nice simple black box, for use in examples)
- 09:17, 10 October 2012 Lnaden talk contribs uploaded File:Plus sign.jpg (Simple plus sign, for use in examples )
- 09:12, 10 October 2012 Lnaden talk contribs uploaded File:Ethanol in vac.png (Ethanol by itself, but the boundary is expanded to show a "box" that it is free to explore. All atom, rendered in VMD)
- 08:57, 10 October 2012 Lnaden talk contribs uploaded a new version of File:Waterbox.png (New water box based on where an ethanol should be instead of ethane.)
- 08:55, 10 October 2012 Lnaden talk contribs uploaded File:TIP3P-Ethanol.png (Ethanol in a TIP3P water box. All atom, rendered in VMD)
- 08:55, 10 October 2012 Lnaden talk contribs uploaded File:Ethanol.png (Ethanol, all atom, rendered in VMD)
- 14:53, 9 October 2012 Lnaden talk contribs uploaded File:Doublearrow.png
- 13:41, 9 October 2012 Lnaden talk contribs uploaded File:Toluene.png (Toluene, Rendered in VMD)
- 13:40, 9 October 2012 Lnaden talk contribs uploaded File:T4-Toluene.png (T4-lysozyme with a Toluene at the binding site, Rendered in VMD)
- 13:40, 9 October 2012 Lnaden talk contribs uploaded File:T4-Phenol.png (T4-lysozyme with a Phenol at the binding site, Rendered in VMD)
- 13:39, 9 October 2012 Lnaden talk contribs uploaded File:T4-lysozyme.png (T4-lysozyme protein in implicit solvent. Rendered in VMD)
- 13:38, 9 October 2012 Lnaden talk contribs uploaded File:Phenol.png (Phenol, rendered in VMD)
- 12:58, 9 October 2012 Lnaden talk contribs uploaded File:Waterbox.png (TIP3P water box, not equilibrated, void present where an ethane should be)
- 12:57, 9 October 2012 Lnaden talk contribs uploaded File:Ethanebox.png (Box of TIP3P water molecules and an ethane)
- 19:56, 8 October 2012 Michael Shirts talk contribs moved page Intermediate States to Constructing a Pathway of Intermediate States (Not clear)
- 19:00, 8 October 2012 Michael Shirts talk contribs moved page Theoretic Principals to Theoretic Principles (Name mispelled)
- 12:54, 30 September 2012 Lnaden talk contribs uploaded File:Bootstrap Comparison.png
- 13:50, 28 September 2012 Lnaden talk contribs uploaded File:Cmbox deletion.png
- 13:42, 28 September 2012 Lnaden talk contribs uploaded File:Template-info.png
- 13:32, 28 September 2012 Lnaden talk contribs deleted page Methods and Simulation Workflow (Put the data in places that made more sense. I'm not sure there would be enough content to justify a full page)
- 10:31, 28 September 2012 Lnaden talk contribs changed group membership for Citation bot from (none) to bot (This is a bot to automatically handle Citations)