[gmx-users] protein-ligand complex fatal error

Yaser Hosseini yaser.hosseini.biologist at gmail.com
Mon Dec 8 20:36:57 CET 2014

hi gromacs users

i want to run  Protein-Ligand Complex but when i want to run this command :

mdrun -deffnm nvt

i got this error

Fatal error:
4 particles communicated to PME node 2 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.

what can i do for fix it???

thanks .

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