[gmx-developers] methanol.gro

[David]

On Sun, 2002-12-08 at 22:20, Bert Groot de wrote:
> 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?
Put it in CVS, or on the website under topologies anyway.
> 
> 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
> ____________________________________________________________________________
> 
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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