IndexGroups¶
GROMACS makes extensive use of index groups for at varios points of the simulation workflow. This class holds a list of defined index groups. At each simulation run, an index file is written with the current file name prefix.
GROMACS makes extensive use of index groups for at varios points of the simulation workflow. This class holds a list of defined index groups. At each simulation run, an index file is written with the current file name prefix.