[gmx-users] (no subject)
Saumyak Mukherjee
mukherjee.saumyak50 at gmail.com
Thu Jan 31 06:32:45 CET 2019
Hi,
There is a detailed online tutorial.
http://www.mdtutorials.com/gmx/
It has everything you need.
Best,
Saumyak
On Thu, 31 Jan 2019 at 10:51, Satya Ranjan Sahoo <satyasahoo359 at gmail.com>
wrote:
> Sir,
> I am a beginner to GROMACS. I was unable to understand how to create all
> the ions.mdp , md.mdp , mout.mdp , minim.mdp , newbox.mdp , npt.mdp ,
> nvt.mdp , porse.itp , topol.top input files for molecular simulation of my
> molecule. Please teach me how can I generate or create all the above
> mentioned input files for my molecule.
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--
===========================
*Saumyak Mukherjee*
Senior Research Fellow
Solid State and Structural Chemistry Unit
Indian Institute of Science
Bengaluru - 560012
===========================
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