[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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