AMBER Archive (2000)

Subject: (no subject)

From: Alessandra Ricca (ricca_at_pegasus.arc.nasa.gov)
Date: Mon Oct 30 2000 - 18:19:55 CST


Dear Amber users,

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 ?

Thanks,

  Alessandra Ricca