NAME¶
csg_call functions dlpoly - Part of the VOTCA package
SYNOPSIS¶
csg_call functions dlpoly [OPTIONS]
csg_call functions dlpoly [–help]
DESCRIPTION¶
Useful functions for the generic simulation program: * simulation_finish – checks if simulation is finished * checkpoint_exist – check if a checkpoint exists (REVIVE _and_ REVCON - both are needed!) * get_simulation_setting – gets parameter a parameter from the settings file (1st argument) from simulation setting file (not implemented)