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
Received on Mon Oct 30 2000 - 16:19:55 PST
