Commits · 9d9a3f4fa02ab3b24431c454c5c588c113793fd3 · tsoc / openmm

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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
28 Oct, 2015 1 commit
- Added documentation for residue template parameters, plus other minor documentation updates · 5d9a166c
  peastman authored Oct 28, 2015
  
  5d9a166c
10 Sep, 2015 1 commit
- Created OPENMM_DEFAULT_PLATFORM environment variable · 3fa88060
  peastman authored Sep 10, 2015
  
  3fa88060
24 Jul, 2015 1 commit
- Workaround for a change in Sphinx 1.3 that broke the autonumber extension · 3af6d382
  peastman authored Jul 24, 2015
  
  3af6d382
12 Jun, 2015 1 commit
- Updates to documentation for 6.3 · 1c2c1700
  peastman authored Jun 11, 2015
  
  1c2c1700
19 May, 2015 1 commit
- Moved the MTS and aMD integrators into the main repository · 6dd0c6f1
  peastman authored May 19, 2015
  
  6dd0c6f1
06 May, 2015 1 commit
- Fixed failing test cases. Increased default minimizer tolerance to 10. · f18fa49c
  Peter Eastman authored May 06, 2015
  
  f18fa49c
04 May, 2015 1 commit
- Updated documentation for addSolvent() · 05dd85de
  peastman authored May 04, 2015
  
  05dd85de
10 Feb, 2015 1 commit
- More support for triclinic boxes · 30a53702
  Peter Eastman authored Feb 10, 2015
  
  30a53702
19 Nov, 2014 1 commit
- Updated instructions on running the test installation script · b7730b84
  peastman authored Nov 19, 2014
  
  b7730b84
14 Nov, 2014 1 commit
- Further documentation updates for 6.2 · a572eec6
  peastman authored Nov 13, 2014
  
  a572eec6
30 Oct, 2014 1 commit
- Minor updates to manual for 6.2. · da2e8c92
  peastman authored Oct 30, 2014
  
  da2e8c92
06 Oct, 2014 1 commit
- More documentation on MonteCarloMembraneBarostat · 79929693
  peastman authored Oct 06, 2014
  
  79929693