Commits · b20c20fe49f514aeaa3a7e711f11c3db50eb6d32 · tsoc / openmm

11 Nov, 2015 1 commit
- Residue templates can specify atoms by name instead of index · 6391f721
  Peter Eastman authored Nov 11, 2015
  
  6391f721
20 Feb, 2015 1 commit
- Regenerated AMOEBA2013 based on Tinker 7.0.1 · 9f5a02cd
  peastman authored Feb 19, 2015
  
  9f5a02cd
19 Nov, 2014 1 commit
- Copy testInstallation.py to the simtk package and make it an import-safe module. · fe45563a
  Jason Swails authored Nov 19, 2014
```
Also copy the test PDB file to the data/ directory, since we rather need it...
```
  fe45563a
18 Sep, 2014 1 commit
- Set cutoff correctly for CHARMM polarizable force field · b6fcfbd5
  peastman authored Sep 18, 2014
  
  b6fcfbd5
23 Jul, 2014 1 commit
- Fixed anisotropy for terminal residues · c0194484
  peastman authored Jul 23, 2014
  
  c0194484
15 Jul, 2014 1 commit
- Trivial change to force travis to rerun the tests · fd76052f
  peastman authored Jul 14, 2014
  
  fd76052f
14 Jul, 2014 2 commits
- Created XML file for CHARMM polarizable force field · 615b18c2
  peastman authored Jul 14, 2014
  
  615b18c2
- Changed definition of polarizability to match CHARMM · e1e1e12d
  peastman authored Jul 14, 2014
  
  e1e1e12d
28 May, 2014 3 commits
- Renamed files, and updated user's guide · b957ae13
  Lee-Ping authored May 28, 2014
  
  b957ae13
- Typo fix · 732bc862
  Lee-Ping authored May 28, 2014
  
  732bc862
- Updated citation information · b46c2244
  Lee-Ping authored May 28, 2014
  
  b46c2244
17 May, 2014 1 commit
- Added tip3p-fb and tip4p-fb parameter files. · cbda8087
  Lee-Ping authored May 17, 2014
  
  cbda8087
14 May, 2014 1 commit
- Regenerated AMOEBA 2013 force field based on corrected parameter file · 918af983
  Peter Eastman authored May 14, 2014
  
  918af983
08 May, 2014 1 commit
- Fixed incorrect specification of torsion-torsion terms in AMOEBA 2013 force field · bbe0ce70
  peastman authored May 08, 2014
  
  bbe0ce70
12 Mar, 2014 2 commits
- Added documentation and header information for AMOEBA 2013 force field · 075e56ba
  peastman authored Mar 12, 2014
  
  075e56ba
- Created files for AMOEBA 2013 force field · 1cbc2f38
  peastman authored Mar 11, 2014
  
  1cbc2f38
18 Feb, 2014 1 commit
- Added iAMOEBA water parameters · fda320e6
  Lee-Ping authored Feb 18, 2014
  
  fda320e6
01 Feb, 2014 1 commit
- ForceField supports all types of tabulated functions in CustomGBForce · ed31a458
  peastman authored Jan 31, 2014
  
  ed31a458
13 Dec, 2013 1 commit
- Fixed some incorrect parameters in SWM4-NDP water model · ce9e41ab
  peastman authored Dec 13, 2013
  
  ce9e41ab
26 Nov, 2013 1 commit
- Removed files related to the old wrapper generators · c63c2c0d
  peastman authored Nov 25, 2013
  
  c63c2c0d
12 Sep, 2013 1 commit
- Fixes to adding hydrogens to RNA · 15d8a466
  peastman authored Sep 11, 2013
  
  15d8a466
11 Sep, 2013 1 commit
- Fixed some errors in definitions of hydrogens · 2f6a06ba
  peastman authored Sep 11, 2013
  
  2f6a06ba
25 Jul, 2013 1 commit
- Added SWM4-NDP water model · 09efc337
  peastman authored Jul 25, 2013
  
  09efc337
12 Jul, 2013 1 commit
- Fixed ACE and NME groups for modeller. · e1f8c0b3
  Lee-Ping Wang authored Jul 11, 2013
  
  e1f8c0b3
01 May, 2013 1 commit
- Fixed vdw parameters for TIP4P-Ew · 33589ed3
  Peter Eastman authored May 01, 2013
  
  33589ed3
24 Apr, 2013 1 commit
- Changes to read more PDB files with nucleic acids correctly · aa4dad89
  Peter Eastman authored Apr 24, 2013
  
  aa4dad89
10 Apr, 2013 1 commit
- Added some PDB residue and atom synonyms used by Tinker · 63955548
  Peter Eastman authored Apr 10, 2013
  
  63955548
16 Jan, 2013 1 commit
- Regenerated amber10.xml based on files from AMBER 12 · c7d98471
  Peter Eastman authored Jan 16, 2013
  
  c7d98471
28 Sep, 2012 1 commit
- Removed the word "harmonic" from lots of places it didn't belong, including class and method names · c6ebf6e2
  Peter Eastman authored Sep 28, 2012
  
  c6ebf6e2
09 Sep, 2012 1 commit
- Added ACE and NME residues to Amoeba parameter file · 813e8ef6
  Mark Friedrichs authored Sep 09, 2012
  
  813e8ef6
28 Aug, 2012 1 commit
- Replaced AmoebaUreyBradleyForce and AmoebaTorsionForce by HarmonicBondForce... · 79e37b50
  Peter Eastman authored Aug 28, 2012
```
Replaced AmoebaUreyBradleyForce and AmoebaTorsionForce by HarmonicBondForce and PeriodicTorsionForce
```
  79e37b50
23 Mar, 2012 1 commit
- Fixed incorrect atom names · b001c4ed
  Peter Eastman authored Mar 23, 2012
  
  b001c4ed
17 Feb, 2012 1 commit
- Modeller supports SPC/E water · 1878512f
  Peter Eastman authored Feb 17, 2012
  
  1878512f
10 Feb, 2012 1 commit
- Implementing addHydrogens() · dfdf8328
  Peter Eastman authored Feb 10, 2012
  
  dfdf8328
08 Feb, 2012 1 commit
- Implemented addSolvent() · 15c272fd
  Peter Eastman authored Feb 08, 2012
  
  15c272fd
02 Feb, 2012 1 commit
- Replaced TIP4P with TIP4P-Ew · b593e034
  Peter Eastman authored Feb 02, 2012
  
  b593e034
26 Jan, 2012 1 commit
- ForceField support TIP4P and TIP5P · 2dd09317
  Peter Eastman authored Jan 26, 2012
  
  2dd09317
04 Jan, 2012 1 commit
- File was not updated w/ r3053 · fbe20d20
  Mark Friedrichs authored Jan 04, 2012
  
  fbe20d20
24 Nov, 2011 1 commit
- Labute GB/VI parameters · da5196d7
  Mark Friedrichs authored Nov 24, 2011
  
  da5196d7
11 Nov, 2011 1 commit
- Bug fix to the previous commit · 7b5344db
  Peter Eastman authored Nov 11, 2011
  
  7b5344db