PLUMED can be incorporated into AMBER18 (pmemd module) using the standard patching procedure. Notice that from AMBER20 onward the patching procedure is not necessary anymore. Patching must be done in the root directory of amber before compilation and after applying all updates.

To enable PLUMED in a pmemd simulation one should use add to the cntrl input namelist these two fields:

plumed=1 , plumedfile='plumed.dat'

The first is switching PLUMED on, the second is specifying the name of the PLUMED input file.

This patch is compatible with the MPI, CUDA and CUDA + MPI versions of pmemd.

For more information on amber you should visit http://ambermd.org