- 09 Oct, 2013 2 commits
- 08 Oct, 2013 6 commits
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peastman authored
Python records where OpenMM is installed, so it doesn't need to be specified with environment variables at runtime
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peastman authored
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peastman authored
Lots of code cleanup related to constraints in the reference platform
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peastman authored
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peastman authored
Added option to omit PILE thermostat from RPMD
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peastman authored
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- 07 Oct, 2013 2 commits
- 02 Oct, 2013 8 commits
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peastman authored
Python records where OpenMM is installed, so it doesn't need to be specified with environment variables at runtime
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peastman authored
dmstests
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peastman authored
Fix to PR #152
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
Added unittest and 1 system tests. Includes 1 bugfix to resolving a circular import and 1 bugfix where dms wasn't creating the topology correctly when the water was specified in different chains
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- 01 Oct, 2013 9 commits
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peastman authored
Ignore constraints that connect two massless particles (feature request 1915)
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peastman authored
Create system from Desmond files
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Robert McGibbon authored
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peastman authored
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Robert McGibbon authored
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Robert McGibbon authored
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peastman authored
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Robert McGibbon authored
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Robert McGibbon authored
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- 30 Sep, 2013 10 commits
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Robert McGibbon authored
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Robert McGibbon authored
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peastman authored
add getByAtomicNumber to element.
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peastman authored
ATOM lines should be 80 chars
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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Robert McGibbon authored
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- 29 Sep, 2013 1 commit
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Robert McGibbon authored
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- 27 Sep, 2013 2 commits
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Yutong Zhao authored
Fix bug in gromacs top file parser
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Yutong Zhao authored
Look for gromacs include directory in a more flexible way
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