AMBER Archive (2000)

Subject: POL3

From: Bill Ross (ross_at_cgl.ucsf.edu)
Date: Mon Oct 30 2000 - 15:09:40 CST

        I would like to use the POL3 water polarizable potential
        with Amber5. How can I build a box with POL3 water
        molecules using leap ?
        Which file contains the parameters for POL3 molecules ?

I hear that POL3 uses a rigid water model, so the parameters
for the provided TIP3 water can simply be modified by loading
a frcmod file redefining whatever is needed for the water atom
types, OW and HW. One would load the frcmod file after the default
parm.dat file:

> fmod = loadamberparams POL3.frcmod

Bill Ross