- 25 Sep, 2017 1 commit
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João Rodrigues authored
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- 24 Sep, 2017 1 commit
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João Rodrigues authored
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- 11 Sep, 2017 1 commit
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peastman authored
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- 08 Sep, 2017 1 commit
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peastman authored
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- 06 Sep, 2017 1 commit
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peastman authored
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- 25 Aug, 2017 1 commit
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peastman authored
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- 15 Aug, 2017 1 commit
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John Chodera authored
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- 09 Aug, 2017 1 commit
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peastman authored
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- 08 Aug, 2017 1 commit
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peastman authored
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- 01 Aug, 2017 1 commit
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peastman authored
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- 18 Jul, 2017 1 commit
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peastman authored
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- 14 Jul, 2017 1 commit
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peastman authored
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- 19 Jun, 2017 2 commits
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Peter Eastman authored
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Mohamad Mohebifar authored
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- 16 Jun, 2017 1 commit
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Peter Eastman authored
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- 25 May, 2017 1 commit
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Jason Swails authored
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- 24 May, 2017 3 commits
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Jason Swails authored
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Jason Swails authored
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Jason Swails authored
There are times when it is helpful to have the energy terms actually added to the System even if that degree of freedom is constrained. Other parsers (notably the Amber parsers) already support this keyword, so add that support to ForceField as well This also replaces some string-based element detection algorithms with whatever the PDB parser does (by comparing directly to atom.element)
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- 19 May, 2017 1 commit
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peastman authored
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- 05 May, 2017 2 commits
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Jason Swails authored
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Jason Swails authored
createSystem for both Amber and CHARMM files.
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- 04 May, 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
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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- 25 Apr, 2017 1 commit
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peastman authored
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- 20 Apr, 2017 5 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 P. Wiewiora authored
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Rafal P. Wiewiora authored
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- 18 Apr, 2017 1 commit
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peastman authored
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- 17 Apr, 2017 1 commit
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peastman authored
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