The 'checkoverlap' command in ptraj can check the distances between
atoms in a simulation, taking into account imaging. However, I don't
think it makes any special notation if the overlap is between images.
-Dan
On Tue, Mar 1, 2011 at 5:37 AM, Bala subramanian
<bala.biophysics.gmail.com> wrote:
> Friends,
> Is there any way to check if the protein makes any contact with its periodic
> image during the simulation done with pbc.
>
> Thanks in advance,
> Bala
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Mar 01 2011 - 07:00:07 PST
