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
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Received on Thu Feb 18 2010 - 05:00:02 PST
