[gmx-users] protein-ligand complex fatal error
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
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
This usually means that your system is not well equilibrated.
what can i do for fix it???
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