GENESIS 1.1.2 released on Feb 22, 2017!
This version contains a new feature and some fixes as follows.
New feature:
- (spdyn) Cartesian coordinates can be employed as CV in the string method
Fixes:
- (rpath_generator) improved functionality
- (atdyn/spdyn) more smart handling of restart files
- (spdyn) show GPU hardware information in log file
- (spdyn) multiple GPUs in a single node can be used effectively in non-OpenMPI environment (such as Intel MPI)
- (spdyn)
structure_check is implemented in spdyn (runtime structure check upon pairlist generation)
- (atdyn) support CHARMM19
Please also check the updated usage page about GPUs.
