[gmx-users] structure

Dallas Warren dallas.warren at monash.edu
Sun Feb 3 23:39:44 CET 2019


Have a read through the tools available with GROMACS and see what does what
you are looking for:
http://manual.gromacs.org/documentation/current/user-guide/cmdline.html

There are other analysis tools out there too, you don't need to limit
yourself to those provided with GROMACS only.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


On Fri, 1 Feb 2019 at 21:46, Faezeh Pousaneh <fpoosaneh at gmail.com> wrote:

> Hi,
>
> I have a mixture of two component system. I want to investigate the final
> structure, mainly the angles and orientations between different molecules
> and atom. Anyone has idea how to do that?
>
> thanks.
>
> Best regards
> --
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