- 01 Feb, 2021 1 commit
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Peter Eastman authored
* Top level Python module is now "openmm" * Updated module names in examples * Updated module names in documentation * Updated module in CI scripts * Added deprecation warning
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- 10 Dec, 2018 1 commit
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egallicc authored
* Implementation of OPLS through DMS reader * Improved Implementation of OPLS through DMS reader * raise errors for invalid implicit solvent settings
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- 26 Jan, 2017 1 commit
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Peter Eastman authored
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- 02 Oct, 2013 1 commit
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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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