[gmx-users] Calculating hydrogen bonds along the length of the Bilayer

Wes Barnett w.barnett at columbia.edu
Wed Sep 6 14:50:38 CEST 2017

On Mon, Sep 4, 2017 at 2:17 AM, atb files <atbfiles at zoho.com> wrote:

>  Hi Experts,How can we calculate hydrogen bonds as a function of distance
> from the Bilayer centre.ThanksYogi

I don't know of any GROMACS utility that does this. Sounds like you may
need to find another program for post-simulation analysis or you may need
to read in your simulation trajectory into a program you write and code up
the calculation.

James "Wes" Barnett
Postdoctoral Research Scientist
Department of Chemical Engineering
Kumar Research Group <http://www.columbia.edu/cu/kumargroup/>
Columbia University
w.barnett at columbia.edu

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