VMD-L Mailing List

From: Axel Kohlmeyer (axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de)
Date: Fri Jul 16 2004 - 11:59:45 CDT

On Fri, 16 Jul 2004 10:17:23 -0400 "Raymond C. Fort Jr." wrote:

> Is there a way to use VMD to generate a solvent box other than water? Say,
> a simple alcohol, or a hydrocarbon?
>
> Or does anyone know of a site where a pdb of such a box might be downloaded?

hi,

in the topologies section of the gromacs homepage
(http://www.gromacs.org/topologies/molecules.php) there are
several equilibrated(?) solvent boxes available for download.
the .gro files can be easily translated into .pdb via
babel or VMD.

axel.

>
> Ray
>
>
> Professor Ray Fort Jr. rcfort_at_maine.edu
> Department of Chemistry chemistry.umeche.maine.edu/fort.html
> University of Maine Voice: (207)-581-1180
> Orono, ME 04469 FAX: (207)-581-1191
>
> Computer modeling of organic and biomolecules; chemistry of lignin
> and cellulose
>
> 

--
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Axel Kohlmeyer      e-mail:  axel.kohlmeyer_at_theochem.ruhr-uni-bochum.de
Lehrstuhl fuer Theoretische Chemie          Phone: ++49 (0)234/32-26673
Ruhr-Universitaet Bochum - NC 03/53         Fax:   ++49 (0)234/32-14045
D-44780 Bochum                   http://www.theochem.ruhr-uni-bochum.de
=======================================================================
If you make something idiot-proof, the universe creates a better idiot.