Commits · bf57b12eb37394ff9576388a72d5eff4d7877241 · tsoc / openmm

21 Oct, 2019 1 commit
- Updated documentation and examples to include BAOABLangevinIntegrator · e1aec292
  peastman authored Oct 21, 2019
  
  e1aec292
14 Aug, 2019 1 commit
- Updated CUDA versions listed in manual · f8df7217
  peastman authored Aug 14, 2019
  
  f8df7217
29 Jul, 2019 1 commit
- Added description of enhanced sampling methods to manual · c3d58d2d
  peastman authored Jul 29, 2019
  
  c3d58d2d
27 Sep, 2018 1 commit
- Updated installation instructions · c03c3fb5
  peastman authored Sep 27, 2018
  
  c03c3fb5
15 May, 2018 1 commit
- Fix typo · f0e76295
  John Chodera authored May 15, 2018
  
  f0e76295
14 May, 2018 2 commits
- Repeat PSF suggestion · b15f87e7
  John Chodera authored May 14, 2018
  
  b15f87e7
- Incorporate feedback from Peter Eastman · 992eab16
  John Chodera authored May 14, 2018
  
  992eab16
11 May, 2018 1 commit
- CHARMM36 and Amber14 doc improvements · 12dedfa1
  John Chodera authored May 11, 2018
  
  12dedfa1
21 Feb, 2018 1 commit
- Added switchDistance option to ForceField.createSystem() · fea6d6f6
  peastman authored Feb 20, 2018
  
  fea6d6f6
08 Jan, 2018 1 commit
- Added link to openmm-forcefields in the manual · 914bf967
  peastman authored Jan 08, 2018
  
  914bf967
05 Dec, 2017 1 commit
- Documentation updates for 7.2 · 1bcd08d7
  peastman authored Dec 05, 2017
  
  1bcd08d7
29 Nov, 2017 1 commit
- Added documentation for building membranes · 1d97e9ff
  peastman authored Nov 29, 2017
  
  1d97e9ff
28 Nov, 2017 1 commit
- Added new Amber and CHARMM force fields · 9d9a3f4f
  peastman authored Nov 28, 2017
  
  9d9a3f4f
22 Nov, 2017 1 commit
- Improvement to processing of includes in force fields · 4111024b
  peastman authored Nov 22, 2017
  
  4111024b
08 Sep, 2017 1 commit
- Reporters can request wrapped or unwrapped coordinates · ce423ce1
  peastman authored Sep 08, 2017
  
  ce423ce1
18 Jul, 2017 1 commit
- ForceField supports LocalCoordinatesSite depending on arbitrary particles · ea7f44b2
  peastman authored Jul 18, 2017
  
  ea7f44b2
14 Apr, 2017 1 commit
- ForceFields can include other files · e0462958
  peastman authored Apr 14, 2017
  
  e0462958
05 Apr, 2017 1 commit
- Added user guide and bibliography entry · 6f80b44e
  Lee-Ping Wang authored Apr 05, 2017
  
  6f80b44e
26 Jan, 2017 1 commit
- Updated documentation for dispersion PME · a9b636aa
  Peter Eastman authored Jan 26, 2017
  
  a9b636aa
12 Jan, 2017 1 commit
- Documentation updates for 7.1 · b3ce5343
  peastman authored Jan 12, 2017
  
  b3ce5343
06 Oct, 2016 1 commit
- Updated manual to specify CUDA 8.0 · 3654b788
  Peter Eastman authored Oct 06, 2016
  
  3654b788
22 Sep, 2016 1 commit
- ForceField supports CustomHbondForce · e17a4dd8
  peastman authored Sep 22, 2016
  
  e17a4dd8
21 Apr, 2016 1 commit
- Updated documentation for unified property names · 4966bdff
  Peter Eastman authored Apr 21, 2016
  
  4966bdff
07 Apr, 2016 1 commit
- Added documentation on patches · 238a1068
  peastman authored Apr 07, 2016
  
  238a1068
25 Mar, 2016 1 commit
- Minor updates to manuals · a45599d2
  peastman authored Mar 25, 2016
  
  a45599d2
06 Feb, 2016 1 commit
- Fix errors in sphinx formatting for docs · 4f629c8f
  John Chodera (MSKCC) authored Feb 05, 2016
  
  4f629c8f
27 Jan, 2016 1 commit

Added further specificity that State files can be exchanged between · 8f9f0939

Nate Stanley authored Jan 27, 2016

different platforms and OpenMM versions, while Checkpoint files can not
be exchanged between platforms or versions of Openmm.

8f9f0939

21 Jan, 2016 4 commits
- Fixed supported OS X version number · aafe10bc
  peastman authored Jan 21, 2016
  
  aafe10bc
- Minor improvements to manual · 6a4213d8
  peastman authored Jan 21, 2016
  
  6a4213d8
- Add a method for retrieving list of matching templates to ForceField. · 15d1b5fc
  jchodera authored Jan 21, 2016
  
  15d1b5fc
- Updated documentation on installing to discuss conda · 1561f089
  peastman authored Jan 20, 2016
  
  1561f089
20 Jan, 2016 1 commit
- Fix docstrings, docs, and method names. · a4481f54
  John Chodera (MSKCC) authored Jan 20, 2016
  
  a4481f54
19 Jan, 2016 1 commit
- Also return residue templates; add docs. · 818db2b2
  jchodera authored Jan 19, 2016
  
  818db2b2
14 Jan, 2016 1 commit
- Added extrapolated polarization support to Python and to manual · 49cbc791
  Peter Eastman authored Jan 14, 2016
  
  49cbc791
09 Jan, 2016 1 commit
- Fix syntax errors in user guide docs. · 427f8517
  John Chodera (MSKCC) authored Jan 08, 2016
  
  427f8517
03 Jan, 2016 1 commit
- Added documentation of residue template generator with admonition that feature... · 01016dea
  John Chodera (MSKCC) authored Jan 02, 2016
```
Added documentation of residue template generator with admonition that feature is experimental and API is subject to change.
```
  01016dea
21 Nov, 2015 1 commit
- Updated the user guide to clarify how to save simulations results · 4fd6934b
  Nate Stanley authored Nov 20, 2015
```
and progress. Also added a small note about the determinism of
simulations on different platforms.
```
  4fd6934b
16 Nov, 2015 1 commit
- Minor updates to documentation · 7139275a
  Peter Eastman authored Nov 16, 2015
  
  7139275a
11 Nov, 2015 1 commit
- Residue templates can specify atoms by name instead of index · 6391f721
  Peter Eastman authored Nov 11, 2015
  
  6391f721
05 Nov, 2015 1 commit
- Added documentation on CompoundIntegrator · 1a3411a5
  Peter Eastman authored Nov 04, 2015
  
  1a3411a5