Simple potential energy calculations in VMD

From: Dominique Vlieghe <Dominique.Vlieghe{at}dmbr.UGent.be>
Organization:
Subject: Simple potential energy calculations in VMD
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
 --
 ------------------------------
 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/
 ------------------------------