[gmx-users] Initial cell size is smaller than the cell size limit

David van der Spoel spoel at xray.bmc.uu.se
Sat Sep 10 21:42:40 CEST 2016

On 10/09/16 19:56, Faust SHI wrote:
> Hi Sir,
> When I just run my simulation after I use grompp to convert tpr file, the error occurs that "Fatal error: The initial cell size (4.180000) is smaller than the cell size limit (11.011738), change options -dd, -rdd or -rcon, see the log file for details”. Do you have any idea about what causes this error or what controls the cell size limit so that I can make it match the initial cell size?
> Thanks a lot!
Depends on cut-off, system details like shape of the box, whether you 
have periodic molecules etc. Please also copy-paste the entire error 
message from your md.log file.

> Yours sincerely,
> Faust

David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
spoel at xray.bmc.uu.se    http://folding.bmc.uu.se

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