OpenMM: added combination rule check, disabled restraint check for now as it's buggy
commit91778add57305c7427a14e9bf664fc1f537c1e08
authorSzilard Pall <pszilard@cbr.su.se>
Sun, 30 May 2010 18:18:16 +0000 (30 20:18 +0200)
committerSzilard Pall <pszilard@cbr.su.se>
Sun, 30 May 2010 18:18:16 +0000 (30 20:18 +0200)
tree0fab907463f7633f595d27c69eb4a3f37ed24a30
parent12a15e87ea565a0c7255cbf5f0bdeab542a43e9a
OpenMM: added combination rule check, disabled restraint check for now as it's buggy
src/kernel/openmm_wrapper.cpp