[gmx-users] warning message while using eneconv
David van der Spoel
spoel at xray.bmc.uu.se
Fri Dec 29 08:58:45 CET 2006
sunita at chem.iitb.ac.in wrote:
> Dear David,
> Thanks for your reply.
> pls suggest how to get rid of these warning messages.
> I do not find where is the mistake.
> Thank you very much.
could it be that you have done more than two billion time steps? in that
case the step counter overflows and becomes negative.
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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