[gmx-users] Hbond occupancy

Dallas Warren dallas.warren at monash.edu
Mon Oct 8 00:57:57 CEST 2018


What have you already tried? What results did you get?


First point of call should be http://manual.gromacs.org/documentation/

In particular
http://manual.gromacs.org/documentation/current/user-guide/cmdline.html

There you can read through all the scripts that come with the software, how
to use them, and what data you can extract.

Web searches, particularly of the emailing list, will provide lots of
information too. If after that, still have questions, then post to the
emailing list with what you want to do, what you have tried, and what you
are having problems with.

On Sat, 6 Oct. 2018, 10:12 pm mmousivand93, <mmousivand93 at ut.ac.ir> wrote:

> Dear users
>
> I have run molecular dynamic for DNA-ligand complex and I am going to
> analysis H-bond and Hbond occupancy using GROMACS,  I would appreciate
> any suggestions.
>
> Best regard
> --
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