[gmx-users] ABOUT gromacs

Mark Abraham Mark.Abraham at anu.edu.au
Fri Feb 17 10:45:27 CET 2012

On 17/02/2012 8:38 PM, Bipan Dutta wrote:
> I want to do Classical molecular Dynamics stimulation with 1 isobutyl 
> cyanide and 100 water molecule. I cant create input file. Please help 
> me to create the input file.

You should start by doing and understanding all the tutorial material 
you can find via Google and the GROMACS website - even if it doesn't 
look all that relevant. This will help you understand what is required 
to do these simulations. Then please ask a focussed question :-)

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