VMD-L Mailing List
From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Mon Sep 16 2013 - 01:44:38 CDT
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Did you load a psf or other file that hold the parameters for your molecule?
Norman Geist.
> -----Ursprüngliche Nachricht-----
> Von: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] Im
> Auftrag von rasti_at_ut.ac.ir
> Gesendet: Sonntag, 15. September 2013 10:18
> An: vmd-l_at_ks.uiuc.edu
> Betreff: vmd-l: calculating total energy
>
> Dear VMD Users,
>
> I want to calculate the total energy for a molecule.
> I have been trying the "molinfo top get {energy}" command, but it keeps
> giving the 0.00 value for whatever molecule which is selected.
> Any help will be appreciated.
>
> Regards,
> Behnam
>
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