[gmx-users] MD of crystal
David van der Spoel
spoel at xray.bmc.uu.se
Fri Feb 16 16:07:12 CET 2007
Nicolas Bock wrote:
> I named it conf.gro since genconf seemed to like that name. Where in the
> gromacs manual does it describe the format of a gromos96 file? I only
> found references to the gromos96 manual but I couldn't find a file
> format description in the online version of it either. Could you point
> me to the right place?
have you tried naming it conf.g96 ? Then everything should magically work.
Otherwise chapter 5 should have it.
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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