AMBER Archive (2003)

Subject: Re: npscal

From: David A. Case (case_at_scripps.edu)
Date: Wed Jul 09 2003 - 15:53:54 CDT


On Wed, Jul 09, 2003, Shuang Ding wrote:
>
> When use sander for MD simulation, npscal can be set to 0 or 1 in Amber6.
> But in Amber7, npscal must be 1. Amber7 doesn't provide atom scaling
> (npscal=0) in sander anymore?

This is correct....good luck...dac

-- 

================================================================== David A. Case | e-mail: case_at_scripps.edu Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896 The Scripps Research Institute | phone: +1-858-784-9768 10550 N. Torrey Pines Rd. | home page: La Jolla CA 92037 USA | http://www.scripps.edu/case ==================================================================