GROMACS version:
GROMACS modification: Yes/No
Here post your question : How to resolve this below error :
Program gmx, VERSION 5.0.7
Source code file: /home/admin123/gromacs-5.0.7/src/gromacs/mdlib/pme.c, line: 754
Fatal error:
3 particles communicated to PME rank 6 are more than 2/3 times the cut-off out of the domain decomposition cell of their charge group in dimension x.
This usually means that your system is not well equilibrated.
For more information and tips for troubleshooting, please check the GROMACS
website at Errors - Gromacs