[gmx-developers] Problem using mdrun
David van der Spoel
spoel at xray.bmc.uu.se
Wed Jun 6 15:57:56 CEST 2007
C.RAMYA wrote:
> Hello,
>
> 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
> message.
> 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.
________________________________________________________________________
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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