Re: polarizabilities

From: Lepsa <>
Date: Tue 26 Mar 2002 10:12:09 +0100

>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
Received on Tue Mar 26 2002 - 01:12:09 PST
Custom Search