[gmx-users] simulation of ternary complex

Erik Marklund erik.marklund at kemi.uu.se
Tue Jan 24 11:42:03 CET 2017

Dera Maria,

Yes that is possible. Be sure to make a good choice of forcefield, so that you have decent parameters for all molecule types in your simulation.

Kind regards,
Erik Marklund, PhD
Marie Skłodowska Curie INCA Fellow
Department of Chemistry – BMC
Uppsala Universtity
erik.marklund at kemi.uu.se<mailto:erik.marklund at kemi.uu.se>

On 24 Jan 2017, at 11:25, maria khan <mariabiochemist1 at gmail.com<mailto:mariabiochemist1 at gmail.com>> wrote:

Dear gromacs Users..

I want to simulate ternary complex of protein -DNA -ligand..Is it possible
to simulate it combinely?

secondly..Gromacs has no graphical interface to visualize results..how can
we resolve this issue..Using VMD i have some issues regarding trajectories..


Maria khan.

ICS,,university of peshawar..
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