amber-developers: delta.charge in xleap

From: xiaolin cheng <cheng.ilion.bio.sunysb.edu>
Date: Fri, 27 Feb 2004 10:10:22 -0700

Hi, all,

i'm using xleap in amber8 to create a "pertubation" prmtop file for free
energy calculation.
when I pull down the edit menu, there is column called DELTA.charge.
my question is, what should I put in there?
is it the "perturbed" charge minus original charge or something else?

thanks for your help.

xiaolin
Received on Wed Apr 05 2006 - 23:50:05 PDT