[gmx-users] (no subject)

Shine A shine.a at iisertvm.ac.in
Mon Dec 17 18:53:33 CET 2012


    I am studying dynamics of a membrane protein using oplsaa force field.
Energy minimization during nvt equilibration getting error like this.
  Fatal error:
1 particles communicated to PME node 1 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.
plz give me a way to solve this problem?

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