[gmx-users] Fixing periodicity effects on trajectory file

Michael Shirts mrshirts at gmail.com
Wed Sep 16 00:56:46 CEST 2015

Maybe the ligand actually is leaving the binding site and moving
around, and that's what your simulation is telling you!  Hard to say
with the posted information.

On Tue, Sep 15, 2015 at 11:24 AM, Homa rooz <ha.roozbahany at gmail.com> wrote:
> Dear Justin
> I have followed your advice but it didn't solve my problem.
> Ligand is still out of binding site.
> --
> Homa Ahmadi
> Shahed University
> Faculty of Basic Sciences
> Alternative email> h.ahmadi at shahed.ac.ir <h.ahmadi at ast.ui.ac.ir>
> --
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