[gmx-users] (no subject)

Mark Abraham mark.j.abraham at gmail.com
Wed Jun 21 13:46:13 CEST 2017


Hi,

On Wed, Jun 21, 2017 at 1:21 PM Shivangi Agarwal <
shivangi.agarwal800 at gmail.com> wrote:

> Hello to all gmx users
>
> I am performing protein ligand complex MD simulation but my protein
> structure has been broken during energy minimization process.
>

It's not broken, but rather in an unexpected representation. See
http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions
for
background and suggestions.

Mark


> What may be the suitable reason? How I can solve this?
> Your support is highly appreciated
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