Commits · d1286701a86eee0279b8c7454b97aa581c5957ad · tsoc / openmm

"platforms/hip/tests/TestHipMonteCarloBarostat.cpp" did not exist on "875426081fc495492e75c87873838a71add0adb9"

27 Jan, 2016 2 commits
- Oops, make the scalings slightly different. · d1286701
  Jason Swails authored Jan 27, 2016
  
  d1286701
- Add a test for combining FF XML files with close, but not exactly equal scaling · 180ce26a
  Jason Swails authored Jan 27, 2016
```
factors.
```
  180ce26a
26 Jan, 2016 3 commits
- Fix calling createSystem with unitless hydrogenMass · e82796f6
  Jason Swails authored Jan 26, 2016
  
  e82796f6
- Install typemaps.i for use by plugins · 97fa20a0
  peastman authored Jan 26, 2016
  
  97fa20a0
- Improper torsions without wildcards override ones with · abdc6296
  Peter Eastman authored Jan 25, 2016
  
  abdc6296
21 Jan, 2016 4 commits
- Fix more typos in test. · 1b28e6c5
  jchodera authored Jan 21, 2016
  
  1b28e6c5
- Fix typo in test. · ae0ad5c9
  jchodera authored Jan 21, 2016
  
  ae0ad5c9
- Add a method for retrieving list of matching templates to ForceField. · 15d1b5fc
  jchodera authored Jan 21, 2016
  
  15d1b5fc
- Add warning about experimental API in ForceField · a2289e84
  John Chodera (MSKCC) authored Jan 20, 2016
  
  a2289e84
20 Jan, 2016 8 commits
- fix indent · 4e742ade
  Rafal P. Wiewiora authored Jan 20, 2016
  
  4e742ade
- Fix docstrings, docs, and method names. · a4481f54
  John Chodera (MSKCC) authored Jan 20, 2016
  
  a4481f54
- tests · bd6c5aa9
  Rafal P. Wiewiora authored Jan 20, 2016
  
  bd6c5aa9
- Trivial change to re-trigger travis. · a04f3714
  John Chodera (MSKCC) authored Jan 20, 2016
  
  a04f3714
- Fix test · 7aacdeb1
  John Chodera (MSKCC) authored Jan 20, 2016
  
  7aacdeb1
- Add test for parameterizing system using templates built with the help of... · 06b61c6e
  John Chodera (MSKCC) authored Jan 20, 2016
```
Add test for parameterizing system using templates built with the help of getUniqueUnmatchedResidues()
```
  06b61c6e
- Fix import · 4f86aac9
  John Chodera (MSKCC) authored Jan 19, 2016
  
  4f86aac9
- Fix omitted template accumulation. · ce70fa17
  John Chodera (MSKCC) authored Jan 19, 2016
  
  ce70fa17
19 Jan, 2016 17 commits
- Also return residue templates; add docs. · 818db2b2
  jchodera authored Jan 19, 2016
  
  818db2b2
- Fix test · 88d7ee6a
  jchodera authored Jan 19, 2016
  
  88d7ee6a
- Fixed tests · 4b2ef27c
  jchodera authored Jan 19, 2016
  
  4b2ef27c
- Fix the AmberCustomGBForce.getStandardParameters and make it work with · f5922dec
  Jason Swails authored Jan 19, 2016
```
mm.GBSAOBCForce as well.
```
  f5922dec
- Fix some forgotten references. · ce661524
  Jason Swails authored Jan 01, 2016
  
  ce661524
- Fix syntax error. · 233b9694
  Jason Swails authored Jan 01, 2016
  
  233b9694
- Remove unnecessary trailing ; · e79f1488
  Jason Swails authored Dec 30, 2015
  
  e79f1488
- Move all of the logic for GB parameter assignment into the new subclasses · fd74112b
  Jason Swails authored Dec 30, 2015
```
Previously, parameters were defined in multiple places -- amber_file_parser.py
and charmmpsffile.py.
```
  fd74112b
- Minor fix for tests. · f1ec09fe
  John Chodera (MSKCC) authored Jan 19, 2016
  
  f1ec09fe
- Minor fix for tests. · eb8d56e0
  John Chodera (MSKCC) authored Jan 19, 2016
  
  eb8d56e0
- Neglected to return bondedToAtom · bdf9cb95
  John Chodera (MSKCC) authored Jan 19, 2016
  
  bdf9cb95
- Fix issue with bond enumeration. · 28c28ead
  John Chodera (MSKCC) authored Jan 19, 2016
  
  28c28ead
- Suppress PDB warnings about duplicate atom names. · 4f352019
  John Chodera (MSKCC) authored Jan 19, 2016
  
  4f352019
- Fix omitted construction of bondedToAtom · dd432501
  John Chodera (MSKCC) authored Jan 19, 2016
  
  dd432501
- Add methods to get unmatched residues without forcefield templates. · a773f1c7
  John Chodera (MSKCC) authored Jan 19, 2016
  
  a773f1c7
- Updates to forcefield. · 87b95319
  John Chodera (MSKCC) authored Jan 18, 2016
  
  87b95319
- Number of monovalent ions added is now correctly determined from ionic strength. · d5fa8d74
  jchodera authored Jan 18, 2016
  
  d5fa8d74
18 Jan, 2016 2 commits
- correction · 7e0bd506
  Rafal P. Wiewiora authored Jan 18, 2016
  
  7e0bd506
- enable wildcard use for types · 4f66c0c6
  Rafal P. Wiewiora authored Jan 18, 2016
  
  4f66c0c6
15 Jan, 2016 1 commit
- fix docstring · ef0ce25a
  Rafal P. Wiewiora authored Jan 15, 2016
  
  ef0ce25a
14 Jan, 2016 2 commits
- Improvements to addHydrogens() · 4e794b38
  Peter Eastman authored Jan 14, 2016
  
  4e794b38
- Added extrapolated polarization support to Python and to manual · 49cbc791
  Peter Eastman authored Jan 14, 2016
  
  49cbc791
09 Jan, 2016 1 commit
- rearrange TestPdbFile.py · 197eac74
  Rafal P. Wiewiora authored Jan 09, 2016
  
  197eac74