- 07 Aug, 2013 1 commit
-
-
peastman authored
-
- 05 Aug, 2013 1 commit
-
-
peastman authored
Created API and reference implementation of restricting CustomNonbondedForce to selected interaction groups
-
- 02 Aug, 2013 11 commits
-
-
peastman authored
Fixed some compilation errors
-
-
Peter Eastman authored
-
peastman authored
-
peastman authored
Get the version number from the CMake script
-
peastman authored
-
peastman authored
create a simtk.openmm.version module that contains the git revision
-
peastman authored
Speed optimization to GromacsTopFile
-
-
peastman authored
-
peastman authored
Eliminated a potential stack overflow when identifying molecules
-
- 01 Aug, 2013 6 commits
-
-
peastman authored
Moved Python app layer tests into the main source tree
-
peastman authored
-
Robert McGibbon authored
-
Robert McGibbon authored
-
peastman authored
ForceField tries to figure out why no residue matched a template
-
peastman authored
Converted the routine for identifying molecules from a recursion to a loop. This avoids stack overflows with very long linear molecules.
-
- 31 Jul, 2013 3 commits
- 30 Jul, 2013 3 commits
- 29 Jul, 2013 2 commits
- 27 Jul, 2013 3 commits
-
-
Robert McGibbon authored
-
peastman authored
Lots of updates to documentation for new features in 5.2.
-
peastman authored
-
- 26 Jul, 2013 7 commits
-
-
peastman authored
Added an argument to addHydrogens() for selecting which Platform to use for minimization. Also marked convertWater() as deprecated.
-
-
peastman authored
Added an argument to addHydrogens() for selecting which Platform to use for minimization. Also marked convertWater() as deprecated.
-
peastman authored
Include process ID in temporary file names to avoid collisions
-
Peter Eastman authored
-
peastman authored
Updated to newer version of cl.hpp
-
peastman authored
-
- 25 Jul, 2013 3 commits