[gmx-users] problem using genbox
David
spoel at xray.bmc.uu.se
Thu Oct 27 19:20:42 CEST 2005
On Thu, 2005-10-27 at 10:39 -0500, Abdullah Taher Mohammed Nasr wrote:
> Hi all
> I have a .pdb file for Lysozyme and I was able to get the file in
> gromacs format .gro using pdb2gmx.
> I wanted to make a box with two molecules of Lysozyme. I used the
> generated .gro file and genbox for that but I got the following error
> message:
> try 0fatal error: more then one residue in insert molecule.
>
> how can I solve this problem?
genconf
>
> thanks
> Abdullah Nasr
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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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