Fixed the execution order in OpenMM so that the generated trajectory frames correspon...
authorRossen Apostolov <rossen@cbr.su.se>
Wed, 18 Aug 2010 14:53:46 +0000 (16:53 +0200)
committerRossen Apostolov <rossen@cbr.su.se>
Wed, 18 Aug 2010 14:53:46 +0000 (16:53 +0200)
commitf4520ee4754668103ed355786337012c2a7b4c4b
tree7d326f092d0bfa91779d69a47ef732b99103d40e
parentec0b791d81b3df65cf551ea79a9aae48d0c6e1e3
Fixed the execution order in OpenMM so that the generated trajectory frames correspond to the CPU ones.
src/kernel/md_openmm.c
src/kernel/openmm_wrapper.cpp
src/kernel/openmm_wrapper.h