AMBER Archive (2000)

Subject: re: frcmod polar

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Tue Oct 31 2000 - 02:06:56 CST

        I would like to run a sander calculation with the POL3
        polarizable potential. Polarizabilities should be present
        in the prmtop file. I would like to use xleap and a frcmod
        file to build a POL3 water box.
        The PARM documentation seems to imply that polarizabilities
        used in sander cannot be entered by a frcmod file.
        How should I proceed to introduce the
        polarizabilities in the prmtop file ?
        
Fortunately you are using Leap, so the limitation of Parm
in this respect is not a problem. Just put the polarizability
on the same line as the mass.

Bill Ross