[gmx-users] Regarding minim.mdp file.

Mark Abraham Mark.Abraham at anu.edu.au
Mon Jun 11 09:02:43 CEST 2012

On 11/06/2012 4:58 PM, Seera Suryanarayana wrote:
> Dear all gromacs users,
>                                   i am running md using gromacs 
> software.I want to down load minim.mdp file for creating a em.tpr 
> file.But i don't know where i can get this file and how to download 
> this file.

There is no magic source for these. You have to design the contents of 
these files just as carefully as an experimental scientist designs an 
experiment. You can get some general guidance from the .mdp files 
available in all the tutorials you have done, but there is no substitute 
for reading about the algorithms and .mdp options in the GROMACS manual. 
You should attempt to replicate some appropriate published methodology 
before making choices of your own.


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