[gmx-users] ABOUT gromacs
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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