[gmx-users] system collapse
David van der Spoel
spoel at xray.bmc.uu.se
Tue Dec 6 13:09:54 CET 2005
Rongliang Wu wrote:
>Hello gmx-users,
>
> why my system of cyclohexane collapse after just a few steps of MD run after cg minimization? the error message is as follows:
>
>Program mdrun, VERSION 3.3
>Source code file: nsgrid.c, line: 220
>
>Fatal error:
>Number of grid cells is zero. Probably the system and box collapsed.
>
>
>
probably an error in your topology.
>i have meet with this problem for many times
>Thanks!
>
>Regards!
>
>Sincerely,
>
>Rongliang Wu
>State Key Laboratory
>of Polymer Physics and Chemistry
>Center of Molecular Science
>Institute of Chemistry
>Chinese Academy of Sciences
>
>
> wurl04 at iccas.ac.cn
> 2005-12-06
>
>
>------------------------------------------------------------------------
>
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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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