[gmx-users] Re: query
David van der Spoel
spoel at xray.bmc.uu.se
Mon Nov 13 20:32:18 CET 2006
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
> 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.
this is why you should run more tuturials and read mailing lists etc.
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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