PLUMED can be incorporated into amber (sander module) using the standard patching procedure. Patching must be done in the root directory of amber before compilation.

To enable PLUMED in a sander 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 version of sander and support multisander. However, replica exchange is not supported. Multisander can thus only be used for multiple walkers metadynamics or for ensemble restraints.

Bug:: Charges passed from amber to plumed are in wrong units and thus lead to wrong results for variables depending on their values. See http://github.com/plumed/plumed2/issues/165 for more details.

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