[AMBER] Script

From: Beale, John <John.Beale.stlcop.edu>
Date: Thu, 18 Feb 2010 06:35:26 -0600

I am hoping that someone will be willing to help me. I am just learning
to write scripts and what I need to do is beyond me for right now. I am
using the script "process_mdout.perl". I would like to modify this
script so that it outputs VDWAALS energy over the trajectory of an MD
simulation. I would be grateful if someone could modify the script to do
this and post it or send it to me. Thanks!

 

John M. Beale, Ph,D,

Associate Professor of Medicinal Chemistry

St. Louis College of Pharmacy

4588 Parkview Place

St. Louis, Missouri 63110

(314)-446-8461

Cell: (314)-315-0409

FAX (314) 446-8460

jbeale.stlcop.edu

 

 

 

 

 

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Feb 18 2010 - 05:00:02 PST
Custom Search