AMBER Archive (2002)

Subject: Re: polarizabilities

From: Lepsa (lepsik_at_marilyn.uochb.cas.cz)
Date: Tue Mar 26 2002 - 03:12:09 CST

>Can one use polarizability with AMBER 6.0 ?

Yes, you can use polarizabilities with parm99. In LEaP, you create top and
crd by writing saveamberparmpol and in Sander input you enter IPOL=1. You
should also scale charges in LEaP (say by 0.8 using scalecharges) because
they are overestimated by HF method.

Good luck. Hodne stesti.

      Martin Lepsik