> What will be the command for making some atoms rigid in a polymer chain? I> want that they will not be moved during the energy minimization.
you can use restraintmask and restraint_wt to apply harmonic restraints
to some atoms of your system. Have a look into the manual for the
details. Note, however, that the atoms are not frozen, but may move
slightly.
Regards,
Anselm
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jul 15 2020 - 09:00:04 PDT
