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This special page shows all uploaded files.
| Date | Name | Thumbnail | Size | User | Description | Versions |
|---|---|---|---|---|---|---|
| 05:50, 20 February 2017 | Cp xvg.sh.zip (file) |  |
301 bytes | Matteo | simple example script to add to the tutorial "Absolute Free Energy Calculations - Gromacs 2016" | 1 |
| 14:20, 25 October 2012 | Implicit color.png (file) |  |
880 bytes | Lnaden | Empty Implicit Solvent Box | 1 |
| 09:54, 10 October 2012 | Blackbox.png (file) |  |
1 KB | Lnaden | A nice simple black box, for use in examples | 1 |
| 13:54, 10 October 2012 | Doublearrowupdown.png (file) |  |
1 KB | Lnaden | Double arrow, pointing down and up | 1 |
| 14:53, 9 October 2012 | Doublearrow.png (file) |  |
1 KB | Lnaden | 1 | |
| 13:50, 28 September 2012 | Cmbox deletion.png (file) |  |
2 KB | Lnaden | 1 | |
| 09:17, 10 October 2012 | Plus sign.jpg (file) |  |
2 KB | Lnaden | Simple plus sign, for use in examples | 1 |
| 09:46, 13 September 2012 | Ambox notice.png (file) |  |
3 KB | Lnaden | 1 | |
| 16:47, 16 October 2012 | Ethanol in vac small.png (file) |  |
3 KB | Lnaden | Ethanol in a vacuum environment, small picture to better see whats going on. Rendered in VMD | 1 |
| 06:24, 14 March 2014 | T4+nphenylglicinonitrile ligand.results.doc (file) | |
3 KB | Matteo | Summary of results for the ligand in water calculations in the tutorial GROMACS 4.6. n-phenylglicinonitrile with T4 lysozyme | 1 |
| 16:11, 3 January 2013 | Ethanol.top (file) | |
4 KB | Michael Shirts | Gromacs .top file for Ethanol in TIP3P water parameterized with OPLS-AA | 1 |
| 09:12, 10 October 2012 | Ethanol in vac.png (file) |  |
4 KB | Lnaden | Ethanol by itself, but the boundary is expanded to show a "box" that it is free to explore. All atom, rendered in VMD | 1 |
| 17:29, 26 September 2013 | Ethanol.mdp (file) | |
5 KB | Michael Shirts | Changed soft core parameters to default to good ones for single precision. | 3 |
| 15:42, 16 June 2014 | T4+nphenylglicinonitrile complex.results.doc (file) | |
5 KB | Matteo | 2 | |
| 19:08, 10 March 2016 | Astex.png (file) |  |
6 KB | Mjschnie | 1 | |
| 17:33, 26 September 2013 | Expanded.mdp (file) | |
6 KB | Michael Shirts | Made the single precision soft core parameters the default. | 7 |
| 19:01, 10 March 2016 | Laufer.png (file) |  |
7 KB | Mjschnie | 1 | |
| 18:28, 17 October 2007 | Amb2gmx.gz (file) | |
8 KB | David Mobley | 1 | |
| 19:07, 10 March 2016 | OpenEye.png (file) |  |
8 KB | Mjschnie | 1 | |
| 09:04, 24 April 2024 | Merck.png (file) |  |
10 KB | Jenke Scheen | 1 | |
| 16:45, 16 October 2012 | TIP3PBox small.png (file) |  |
13 KB | Lnaden | small TIP3PBox with an ethanol cavity. Not equilibrated, rendered in VMD | 1 |
| 21:05, 22 December 2013 | Gelman-rubin-z-score.png (file) |  |
15 KB | John Chodera | 1 | |
| 16:46, 16 October 2012 | TIP3P-Ethanol small.png (file) |  |
17 KB | Lnaden | Small water box with an ethanol in place. Not equilibrated, rendered in VMD | 1 |
| 21:04, 22 December 2013 | Gelman-rubin.png (file) |  |
18 KB | John Chodera | 1 | |
| 21:35, 22 December 2013 | Hindered-sidechain-torsion.png (file) |  |
19 KB | John Chodera | 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. | 1 |
| 19:07, 10 March 2016 | Pfizer.png (file) |  |
19 KB | Mjschnie | 1 | |
| 10:07, 16 October 2019 | Biogen.png (file) |  |
19 KB | Hannahbruce | 1 | |
| 07:43, 13 July 2013 | Ligandtranslate.png (file) |  |
20 KB | Michael Shirts | 2 | |
| 16:52, 7 February 2018 | Acellera 500px.png (file) |  |
21 KB | Mjschnie | Acellera | 1 |
| 08:46, 8 February 2024 | Logo Acellera 1151A0.png (file) |  |
22 KB | Jenke Scheen | 1 | |
| 09:42, 8 May 2023 | Acellera.png (file) |  |
22 KB | Hannahbruce | 1 | |
| 16:18, 3 April 2018 | Genetech-500px.jpg (file) |  |
22 KB | Mjschnie | 1 | |
| 08:55, 10 October 2012 | Ethanol.png (file) |  |
23 KB | Lnaden | Ethanol, all atom, rendered in VMD | 1 |
| 15:00, 24 December 2019 | DassaultSystemes.png (file) |  |
24 KB | Hannahbruce | 1 | |
| 15:39, 12 September 2017 | Novartis-logo.png (file) |  |
25 KB | Mjschnie | 2 | |
| 17:53, 7 February 2018 | Schrodinger 500px.png (file) |  |
25 KB | Mjschnie | 1 | |
| 09:09, 24 April 2024 | Schrodinger.png (file) |  |
25 KB | Jenke Scheen | 3 | |
| 12:54, 30 September 2012 | Bootstrap Comparison.png (file) |  |
26 KB | Lnaden | 1 | |
| 09:06, 24 April 2024 | Openeye.png (file) |  |
26 KB | Jenke Scheen | 1 | |
| 18:59, 10 March 2016 | Holden.png (file) |  |
27 KB | Mjschnie | 1 | |
| 18:39, 9 October 2007 | Alchemistry.jpg (file) |  |
28 KB | John Chodera | Alchemistry.org logo. | 1 |
| 17:50, 7 May 2018 | QuantumBio 500px.png (file) |  |
28 KB | Mjschnie | 1 | |
| 09:17, 16 November 2019 | Alkermes.png (file) |  |
31 KB | Hannahbruce | 1 | |
| 15:51, 1 March 2023 | Cresset.jpg (file) |  |
32 KB | Hannahbruce | 2 | |
| 17:09, 7 February 2018 | Vertex.png (file) |  |
32 KB | Mjschnie | 3 | |
| 17:11, 7 February 2018 | Vertex 500px.png (file) |  |
32 KB | Mjschnie | 1 | |
| 11:54, 19 February 2018 | AstraZeneca 500px.png (file) |  |
32 KB | Mjschnie | 1 | |
| 10:32, 23 February 2024 | Acellera TX logo 300.png (file) |  |
32 KB | Jenke Scheen | 1 | |
| 03:52, 19 February 2024 | Scientifika logo.png (file) |  |
32 KB | Jenke Scheen | 1 | |
| 14:16, 20 May 2016 | Sampling Discussion.pdf (file) |  |
36 KB | Michael Shirts | Summary of the sampling discussion on Tuesday afternoon | 1 |
