[gmx-users] pbc atom

Gavin Melaugh gmelaugh01 at qub.ac.uk
Tue Aug 24 14:36:16 CEST 2010

Hi all

I am generating a series of configurations using the pull code to
calculate the pmf. I am using no pbc i.e. pbc =no, howver the output
from grommp gives me info on pbc atom.

Pull group  natoms  pbc atom  distance at start     reference at t=0
       0        72        36
       1        72       360   4.290                 4.290

why is this so?



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