[gmx-developers] Problem using mdrun
David van der Spoel
spoel at xray.bmc.uu.se
Wed Jun 6 15:57:56 CEST 2007
> I am trying to simulate a molecule using mdrun but i am getting an
> error after few steps saying :
> "Number of grid cells is zero. Probably the system and box collapsed"
> In every step i got some LINCs warning and finally the program is quitting
> by giving the above message.i am unable to sort out the real problem of
> this.I have tried increasing the grid size but still i am getting the same
> Has table-extension got some link with this problem????because table
> extension low is also shown.
> Please try to help me out....
search the mailing list for "bad starting structure". You do not supply
enough information in your mail.
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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