VMD-L Mailing List
From: Dominique Vlieghe (Dominique.Vlieghe_at_dmbr.UGent.be)
Date: Mon Jun 23 2003 - 10:34:45 CDT
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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/ ------------------------------
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