[gmx-users] Re: query

[David van der Spoel]

chiradip chatterjee wrote:
> HI friends
> Thanks for your instant help. I got TFE
> (trifluoroethanol) itp, pdb and gro files. Now I want
> to disturb you again for a command. I have one TFE
> molecule. I want to make a solvent box with 100 TFE
> and 600 Water molecules. What are the commands to
> translate this one TFE to 100TFE in a mixed solvent
> box? [I found the water box filled with water in
> share/tutor/water.]
> Sorry to bother you, But it seems to be that you guys
> are my teachers of GROMACS as I am just a 4 days old
> baby in gromacs.
> Chiradip
> 

this is why you should run more tuturials and read mailing lists etc.
search for

genconf
genbox


-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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