[gmx-users] Regarding minim.mdp file.
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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