[gmx-users] npt simulation error

Mohammad Zahidul Hossain Khan za.parash at gmail.com
Wed Aug 16 03:14:53 CEST 2017

Dear Sir

I am trying to simulate protein_ligand complex using epsilon = 4 and it is
giving the below error

*2 particles communicated to PME rank 4 are more than 2/3 times the cut-off
out of the domain decomposition cell of their charge group in dimension x*

I have no idea how to solve this problem

*Mohammad Zahidul Hossain Khan Graduate student**Department of Physics*
*Email: khan5121 at vandals.uidaho.edu <khan5121 at vandals.uidaho.edu>*
* Skype: parash.khan2*
*Cell: +12085967165*

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