Commits · d32d05aaeae207d0edbd1c5aa7562695b9f2ab85 · tsoc / openmm

28 Feb, 2017 1 commit
- Can append to DCD files · 61053842
  peastman authored Feb 27, 2017
  
  61053842
22 Feb, 2017 1 commit
- Improved performance of Python State objects · 7c0bee4f
  peastman authored Feb 22, 2017
  
  7c0bee4f
01 Feb, 2017 1 commit
- Fix substeps division in MTSIntegrator · 5ce0bd2f
  Kyle Beauchamp authored Jan 31, 2017
  
  5ce0bd2f
26 Jan, 2017 1 commit
- More updates to dispersion PME · c9fcabb5
  Peter Eastman authored Jan 26, 2017
  
  c9fcabb5
11 Nov, 2016 1 commit
- Add a test to make sure that the bond types are really singletons. · 311a2cff
  Jason Swails authored Nov 10, 2016
  
  311a2cff
09 Nov, 2016 2 commits
- Added ignoreExternalBonds option to createSystem() · ff55a3a0
  peastman authored Nov 09, 2016
  
  ff55a3a0
- Fixed error writing a DCD file for a very long trajectory · 61293829
  peastman authored Nov 09, 2016
  
  61293829
15 Oct, 2016 2 commits
- Remove noop · 763cbaa1
  John Chodera (MSKCC) authored Oct 15, 2016
  
  763cbaa1
- Add tests of MTS integrator. · d8f96b30
  John Chodera (MSKCC) authored Oct 15, 2016
  
  d8f96b30
30 Sep, 2016 1 commit
- Bug fixes to building CustomHbondForce · 53b6ea1b
  peastman authored Sep 30, 2016
  
  53b6ea1b
22 Sep, 2016 1 commit
- ForceField supports CustomHbondForce · e17a4dd8
  peastman authored Sep 22, 2016
  
  e17a4dd8
05 Jul, 2016 1 commit
- Eliminated warnings about unclosed files · 258ef062
  peastman authored Jul 05, 2016
  
  258ef062
22 Jun, 2016 1 commit
- Bug fixes and cleanup to LennardJonesGenerator · 861387aa
  peastman authored Jun 22, 2016
  
  861387aa
31 May, 2016 1 commit
- using sigma instead of rmin · 03e33772
  ChayaSt authored May 31, 2016
  
  03e33772
11 May, 2016 2 commits
- Fix tests. · 484d5c7e
  Jason Swails authored May 10, 2016
  
  484d5c7e
- Add a test case for the bounds checking of GBSAGBnForce. Fails for code before · a485716b
  Jason Swails authored May 10, 2016
```
this PR
```
  a485716b
07 Apr, 2016 1 commit
- Implemented matching of residues to multi-residue patches · 6ce43393
  peastman authored Apr 07, 2016
  
  6ce43393
06 Apr, 2016 1 commit
- Implemented matching of residues to single-residue patches · af2e3c2f
  peastman authored Apr 06, 2016
  
  af2e3c2f
05 Apr, 2016 2 commits
- Continuing to implement force field patches · c1d35c3e
  peastman authored Apr 05, 2016
  
  c1d35c3e
- Beginning support for force field patches · e1f8d449
  peastman authored Apr 05, 2016
  
  e1f8d449
11 Mar, 2016 1 commit
- added test for scaled 1-4 LJ · 8c85cdce
  ChayaSt authored Mar 11, 2016
  
  8c85cdce
10 Mar, 2016 1 commit
- check charges in test · 0c68e831
  Rafal P. Wiewiora authored Mar 09, 2016
  
  0c68e831
09 Mar, 2016 4 commits
- add check for type name in overload · 4aa8df6d
  Rafal P. Wiewiora authored Mar 09, 2016
  
  4aa8df6d
- add tests · 476e820b
  Rafal P. Wiewiora authored Mar 09, 2016
  
  476e820b
- changed AtomTypePair to NBFixPair · 6b7ef87f
  ChayaSt authored Mar 08, 2016
  
  6b7ef87f
- added test for L-J generator · 6786edce
  ChayaSt authored Mar 08, 2016
  
  6786edce
24 Feb, 2016 1 commit
- expand on the test · 4ff554c4
  Rafal P. Wiewiora authored Feb 23, 2016
  
  4ff554c4
23 Feb, 2016 1 commit
- add new test, move two newest into right class · 91d26a7f
  Rafal P. Wiewiora authored Feb 23, 2016
  
  91d26a7f
19 Feb, 2016 1 commit
- added a test for nbfix generator · 79e76a4e
  ChayaSt authored Feb 19, 2016
  
  79e76a4e
27 Jan, 2016 5 commits
- Get rid of the fromXmlFiles constructor, but leave support for XML files there. · 2b26d844
  Jason Swails authored Jan 27, 2016
  
  2b26d844
- Add a test for creating a Simulation from XML files. · bf141989
  Jason Swails authored Jan 27, 2016
  
  bf141989
- Apparently the difference DOES matter... :( · bb92e3c0
  Jason Swails authored Jan 27, 2016
  
  bb92e3c0
- 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
21 Jan, 2016 3 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
20 Jan, 2016 3 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