VMD-L Mailing List

From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Sep 24 2003 - 13:39:30 CDT

Hi Sichun,
  There's no built-in feature for calculating energies within VMD,
however you can do things like this with the MD packages/engines
out there. If anyone else has a suggestion, please feel free to
chime in.

Thanks,
  John Stone
  vmd_at_ks.uiuc.edu

On Wed, Sep 24, 2003 at 09:48:34AM -0700, Sichun Yang wrote:
>
> Hi-
>
> I am wondering whether I can calculate the internal energy (bond + angle +
> diheral) for a small group of atoms under the text mode.
> Any hint or suggestion is welcome.
>
> Thanks,
> Sichun
> 

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