All Pages
gromacs-4.6.7

PLUMED can be incorporated into gromacs using the standard patching procedure. Patching must be done in the gromacs root directory before the cmake command is invoked.

To enable PLUMED in a gromacs simulation one should use mdrun with an extra -plumed flag. The flag can be used to specify the name of the PLUMED input file, e.g.:

mdrun -plumed plumed.dat

For more information on gromacs you should visit http://www.gromacs.org