[gmx-users] (no subject)
Satya Ranjan Sahoo
satyasahoo359 at gmail.com
Fri Feb 8 19:30:08 CET 2019
Can anyone suggest how I can use ethanol force field to solvate and run MD
for my molecule. Please help.
On Thu 31 Jan, 2019, 10:48 AM Satya Ranjan Sahoo <satyasahoo359 at gmail.com
> 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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