[gmx-users] g_sorient with tip4p
spoel at xray.bmc.uu.se
Sun Jul 13 15:09:01 CEST 2003
On Sun, 2003-07-13 at 14:53, Kay Gottschalk wrote:
> Hi there,
> did anyone try to use g_sorient with tip4p? It complains that the
> solvent has more than 3 atoms. One could try to convert the trajectory
> to let's say gro format and 'manually' remove all the dummy atoms, but
> perhaps there is a better way. Any ideas?
You can do it with trjconv and an index file.
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Dr. David van der Spoel, Dept. of Cell and Molecular Biology
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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