[gmx-developers] methanol.gro

[Bert Groot de]

Hi all,

I have sent an equilibrated methanol box to Vibin, but it would
be good to share it with others too, I guess. But attachments
are not appreciated in the mailing lists, and the web site does
not really have a place for it (there's topology and software
contributions for now). Any ideas?

cheers,

Bert


On Sat, 7 Dec 2002, Vibin R wrote:

>
> Hi
>
> I would like to perform MD on a methanol box. Its methanol.itp file is
> available in the library files. But its *.gro file is not available
> to run genbox.(But DMSO, decane, water etc both are available). Please let
> me know, what all has to be done to solvate the peptide with methanol.
>
> Thanking you
>
>
>  affly
>  Vibin
>
>
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Bert

____________________________________________________________________________
Dr. Bert de Groot

Max Planck Institute for Biophysical Chemistry
Theoretical molecular biophysics group
Am Fassberg 11
37077 Goettingen, Germany

tel: +49-551-2011306, fax: +49-551-2011089

email: bgroot at gwdg.de
http://www.mpibpc.gwdg.de/abteilungen/071/bgroot
____________________________________________________________________________