- 21 Jan, 2016 13 commits
-
-
jchodera authored
-
jchodera authored
-
peastman authored
Update travis to use CUDA 7.5
-
jchodera authored
-
jchodera authored
-
jchodera authored
-
jchodera authored
-
jchodera authored
-
peastman authored
Add methods to retrieve residues without matching forcefield residue templates
-
John Chodera (MSKCC) authored
-
John Chodera (MSKCC) authored
-
peastman authored
Created property for disabling the PME stream
-
Peter Eastman authored
-
- 20 Jan, 2016 16 commits
-
-
peastman authored
Fixed bug in selecting device index
-
peastman authored
Enable wildcard use for Atom Types
-
peastman authored
-
Rafal P. Wiewiora authored
-
John Chodera (MSKCC) authored
-
John Chodera (MSKCC) authored
-
Rafal P. Wiewiora authored
-
peastman authored
Update README.md badges and links
-
John Chodera (MSKCC) authored
-
John Chodera (MSKCC) authored
-
John Chodera (MSKCC) authored
Add test for parameterizing system using templates built with the help of getUniqueUnmatchedResidues()
-
John Chodera (MSKCC) authored
-
John Chodera (MSKCC) authored
-
John Chodera (MSKCC) authored
-
John Chodera (MSKCC) authored
-
John Chodera (MSKCC) authored
-
- 19 Jan, 2016 11 commits
-
-
peastman authored
Move all of the logic for GB parameter assignment into the new subclasses
-
jchodera authored
-
peastman authored
Fix error in ionicStrength definition in Modeller.addSolvent()
-
jchodera authored
-
jchodera authored
-
jchodera authored
-
jchodera authored
-
peastman authored
Removed calls to cufftSetCompatibilityMode()
-
Jason Swails authored
mm.GBSAOBCForce as well.
-
Peter Eastman authored
-
Jason Swails authored
-