Difference between revisions of "File:Expanded.mdp"
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(uploaded a new version of "File:Expanded.mdp": Made changes in defaults that work better for larger ligands) |
(Michael Shirts uploaded a new version of "File:Expanded.mdp": Made the single precision soft core parameters the default.) |
(No difference)
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Latest revision as of 17:33, 26 September 2013
File for running expanded ensemble calculations
File history
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| Date/Time | Dimensions | User | Comment | |
|---|---|---|---|---|
| current | 17:33, 26 September 2013 | (6 KB) | Michael Shirts (talk | contribs) | Made the single precision soft core parameters the default. |
| 22:28, 1 June 2013 | (6 KB) | Michael Shirts (talk | contribs) | Made changes in defaults that work better for larger ligands | |
| 14:08, 23 May 2013 | (6 KB) | Michael Shirts (talk | contribs) | fixing tcouple (upload again). | |
| 14:05, 23 May 2013 | (6 KB) | Michael Shirts (talk | contribs) | ||
| 14:04, 23 May 2013 | (6 KB) | Michael Shirts (talk | contribs) | fixed typo in tcoupl | |
| 13:07, 17 May 2013 | (6 KB) | Michael Shirts (talk | contribs) | Suggestions for running in single precision | |
| 21:25, 15 April 2013 | (6 KB) | Michael Shirts (talk | contribs) | File for running expanded ensemble calculations |
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