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- 04 May, 2017 2 commits
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Rafal P. Wiewiora authored
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Rafal P. Wiewiora authored
take everything out to a function, RBTorsion and CustomTorsion now use ordering=charmm as their default
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- 28 Apr, 2017 3 commits
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Rafal P. Wiewiora authored
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Rafal P. Wiewiora authored
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Rafal P. Wiewiora authored
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- 27 Apr, 2017 2 commits
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Rafal P. Wiewiora authored
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Rafal P. Wiewiora authored
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- 26 Apr, 2017 2 commits
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Rafal P. Wiewiora authored
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Rafal P. Wiewiora authored
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- 20 Apr, 2017 7 commits
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Rafal P. Wiewiora authored
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Rafal P. Wiewiora authored
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Rafal P. Wiewiora authored
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Rafal Wiewiora authored
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Rafal P. Wiewiora authored
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Rafal P. Wiewiora authored
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- 18 Apr, 2017 4 commits
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peastman authored
Improved gromacs
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Stephen Constable authored
Fixes to GromacsTopFile with different combining rules
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peastman authored
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peastman authored
Defined entry point so other packages can add force field directories
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- 17 Apr, 2017 3 commits
- 14 Apr, 2017 3 commits
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peastman authored
Fixed bug accessing parameters for CustomHbondForce
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peastman authored
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Peter Eastman authored
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- 12 Apr, 2017 1 commit
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peastman authored
Improved logic for guessing elements from atom names
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- 11 Apr, 2017 2 commits
- 10 Apr, 2017 2 commits
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Stephen Constable authored
Updated description of unit test that was added.
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peastman authored
Added error checking to setNonbondedMethod()
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- 07 Apr, 2017 6 commits
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Peter Eastman authored
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Stephen Constable authored
I’m not sure how to trigger the unit testing suite, but this code should test the changes I’ve made.
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peastman authored
Fix typo in bibtex entry
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Levi Naden authored
Missing comma causes docs not to compile.
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Stephen Constable authored
This was changed to help debug my development. I have now returned it to the original behavior.
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Stephen Constable authored
This should fix CI build errors in parent repository.
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- 06 Apr, 2017 1 commit
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peastman authored
Fix test failure on Jenkins
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- 05 Apr, 2017 2 commits
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peastman authored
AMBER-FB15 protein force field parameters
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Lee-Ping Wang authored
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