[gmx-users] pbc atom

[Gavin Melaugh]

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?

Cheers

Gavin