Subject: Simple potential energy calculations in VMD

From: Dominique Vlieghe <Dominique.Vlieghe{at}dmbr.UGent.be>
Date: 23 Jun 2003 17:34:45 +0200

Hi all,

Is it possible to do simple energy calculations within VMD (without
prior energy minimisations and/or dynamics). Furthermore, is it possible
to calculate energies between (atom) selections?

Regards,

Dominique 

-- 
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Dominique Vlieghe, Ph.D.,
Bioinformatics Core,
Dept. Molecular Biomedical Research & V.I.B.,
Ghent University,
K.L. Ledeganckstraat 35,
B-9000 Ghent,
Belgium
Tel.: 32-9-2648749
Fax.: 32-9-2645348
email:dominique.vlieghe{at}dmb.rug.ac.be
www:http://www.dmb.rug.ac.be/
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