Vytautas Rakeviius vytautas1987 at yahoo.com
Thu Apr 6 09:50:29 CEST 2017

Yes, you can open all structural output files with VMD. Or Chimera (tools MD so on).

    On Thursday, April 6, 2017 9:56 AM, Neha Gupta <nehaphysics17 at gmail.com> wrote:

 Hi gromacs users,

I have run 2ns simulation of protein ligand complex using NVT ensemble
(after equilibration).

I want to know whether there is a structural/conformational change in the
protein especially in the active site where, the ligand forms hydrogen
bonds with the protein during simulation.

Can we visualize it? Is it possible?

Please let me know.

Gromacs Users mailing list

* Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!

* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

* For (un)subscribe requests visit
https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.


More information about the gromacs.org_gmx-users mailing list