[gmx-users] how to fix pme number

Vidya R vidyadevi2811 at gmail.com
Fri Sep 15 11:41:06 CEST 2017


Hi gromacs users,

In this command,

gmx mdrun -ntmpi 1 -ntomp 8 -v -deffnm eql2

how to determine the value of pme..

I want to include -npme...

Please help


Thanks,
Vidya.R


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