[gmx-users] How to add specific no. of water molecules????????
David van der Spoel
spoel at xray.bmc.uu.se
Tue Sep 13 13:53:59 CEST 2005
On Tue, 2005-09-13 at 17:04 +0530, Rahul Karyappa wrote:
> Dear all,
> I want to add 3000 water molecules in my box. But when I use genbox
> command it adds slightly more than 3000 water molecules.
> What should I do to add specifically 3000 water molecules?
remove them manually using a text editor.
> Looking forward to your kind reply.
>
> Rahul Karyappa
> NCL,PUNE
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--
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://xray.bmc.uu.se/~spoel
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