[gmx-users] Error in production run

Malai winterhot82 at gmail.com
Wed Jun 13 18:21:32 CEST 2012


Can you suggest me what went wrong in my production run . I got the
following error that stopped my run. Thanks.

Program mdrun_mpi, VERSION 4.5.4
Source code file: domdec.c, line: 2861

Fatal error:
The X-size of the box (6.311743) times the triclinic skew factor (1.000000)
is smaller than the number of DD cells (6) times the smallest allowed cell
size (1.051861)

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
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