Commits · 54ac98928d3930970a0bcaccfad10b69d60c6c95 · tsoc / openmm

12 May, 2017 2 commits
- Merge pull request #1812 from jchodera/update-devtools · 54ac9892
  peastman authored May 12, 2017
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Minor updates to packaging scripts
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  54ac9892
- Update README and packaging scripts. · 183598ed
  John Chodera authored May 12, 2017
  
  183598ed
10 May, 2017 1 commit
- Merge pull request #1810 from peastman/manyparticle · c739aaff
  peastman authored May 10, 2017
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Fixed bug in CustomManyParticleForce.
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  c739aaff
09 May, 2017 1 commit
- Fixed bug in CustomManyParticleForce. · e84f5b71
  Peter Eastman authored May 09, 2017
  
  e84f5b71
05 May, 2017 6 commits
- Merge pull request #1806 from peastman/tabulated · 1f546d53
  peastman authored May 05, 2017
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Fixed error in create3DNaturalSpline()
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  1f546d53
- Merge pull request #1805 from swails/feature/gbsa-parameter · 48c23930
  peastman authored May 05, 2017
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Make the nonpolar part of GBSA available via an argument to createSystem for both Amber and CHARMM files.
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  48c23930
- Fixed error in create3DNaturalSpline() · 222688d5
  peastman authored May 05, 2017
  
  222688d5
- Merge pull request #1560 from rafwiewiora/master · b0c7239b
  peastman authored May 05, 2017
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New code for impropers assignments
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  b0c7239b
- Oops, finish the Amber part · 0b460942
  Jason Swails authored May 04, 2017
  
  0b460942
- Make the nonpolar part of GBSA available via an input parameter to · d7e7c69e
  Jason Swails authored May 04, 2017
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createSystem for both Amber and CHARMM files.
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  d7e7c69e
04 May, 2017 6 commits
- fix wildcard · 3850a251
  Rafal P. Wiewiora authored May 04, 2017
  
  3850a251
- update ordering parameter handling · a999f33b
  Rafal P. Wiewiora authored May 04, 2017
  
  a999f33b
- take everything out to a function, RBTorsion and CustomTorsion now use... · 0b5562ac
  Rafal P. Wiewiora authored May 04, 2017
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take everything out to a function, RBTorsion and CustomTorsion now use ordering=charmm as their default
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  0b5562ac
- Merge pull request #1802 from peastman/deterministic · 915b84f6
  peastman authored May 04, 2017
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Added option for CPU PME to be deterministic
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  915b84f6
- Merge pull request #1804 from leeping/master · a05c1a9b
  peastman authored May 04, 2017
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Update AMBER-FB15 citation with journal information
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  a05c1a9b
- Update AMBER-FB15 citation with journal information · d5b693e1
  Lee-Ping Wang authored May 04, 2017
  
  d5b693e1
03 May, 2017 1 commit
- Added option for CPU PME to be deterministic · b5d4b517
  peastman authored May 03, 2017
  
  b5d4b517
28 Apr, 2017 3 commits
- add missing types to _matchAmberImproper · 79261f4c
  Rafal P. Wiewiora authored Apr 28, 2017
  
  79261f4c
- add return statement... · 50c07938
  Rafal P. Wiewiora authored Apr 28, 2017
  
  50c07938
- extract ordering=amber part to a function · a1cadf1c
  Rafal P. Wiewiora authored Apr 28, 2017
  
  a1cadf1c
27 Apr, 2017 4 commits
- Merge pull request #1797 from jchodera/update-version · 19cefdea
  peastman authored Apr 27, 2017
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Update OpenMM development version number from 7.1.0 to 7.2.0
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  19cefdea
- fix indent 2 · 3c819df2
  Rafal P. Wiewiora authored Apr 27, 2017
  
  3c819df2
- fix indent · cad50c89
  Rafal P. Wiewiora authored Apr 27, 2017
  
  cad50c89
- Update 7.1.0 -> 7.2.0 · 643f53b3
  jchodera authored Apr 27, 2017
  
  643f53b3
26 Apr, 2017 2 commits
- remove extra line · 89c824c7
  Rafal P. Wiewiora authored Apr 26, 2017
  
  89c824c7
- add new code to RBTorsion and CustomTorsion · 883cb72c
  Rafal P. Wiewiora authored Apr 26, 2017
  
  883cb72c
25 Apr, 2017 3 commits
- Merge pull request #1761 from jchodera/fix-charmm-impropers · b37e2571
  peastman authored Apr 25, 2017
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Fix bug where CHARMM impropers did not respect toroidal boundary conditions
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  b37e2571
- Merge pull request #1 from peastman/charmmimproper · 1032094f
  John Chodera authored Apr 25, 2017
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Created test case for CHARMM impropers fix
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  1032094f
- Created test case for CHARMM impropers fix · 117ccbbf
  peastman authored Apr 25, 2017
  
  117ccbbf
24 Apr, 2017 2 commits
- Merge pull request #1792 from peastman/hbond · 8c7734e6
  peastman authored Apr 24, 2017
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Bug fixes to CustomHbondForce
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  8c7734e6
- Bug fixes to CustomHbondForce · a64a5b21
  Peter Eastman authored Apr 24, 2017
  
  a64a5b21
20 Apr, 2017 7 commits
- move PDB to systems · 4f11c10f
  Rafal P. Wiewiora authored Apr 20, 2017
  
  4f11c10f
- remove the now redundant hasTwoWildcards · 311cc01e
  Rafal P. Wiewiora authored Apr 20, 2017
  
  311cc01e
- Merge branch 'master' of https://github.com/rafwiewiora/openmm · 0a2439ce
  Rafal P. Wiewiora authored Apr 20, 2017
  
  0a2439ce
- fix spaces · c29de611
  Rafal P. Wiewiora authored Apr 20, 2017
  
  c29de611
- Merge branch 'master' into master · 6ed5bc4e
  Rafal Wiewiora authored Apr 20, 2017
  
  6ed5bc4e
- resolve conflict · 656d0e3b
  Rafal P. Wiewiora authored Apr 20, 2017
  
  656d0e3b
- re-add old default · 713ef425
  Rafal P. Wiewiora authored Apr 20, 2017
  
  713ef425
18 Apr, 2017 2 commits
- Merge pull request #1778 from GrossfieldLab/improved-gromacs · fbf193fe
  peastman authored Apr 18, 2017
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Improved gromacs
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  fbf193fe
- Merge pull request #1 from peastman/gromacstop · 4dcdf1d6
  Stephen Constable authored Apr 18, 2017
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Fixes to GromacsTopFile with different combining rules
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  4dcdf1d6