[gmx-users] Information on .mdp files

Justin A. Lemkul jalemkul at vt.edu
Thu Mar 15 16:30:49 CET 2012

Lara Bunte wrote:
> Hello
> I want to learn how to create a .mdp file and learn what I can write in such a file and learn what the entries in this file are meaning. 
> I did not find this in the manual. Could you please give me link or some source where I can find this information?

The entirety of Chapter 7 in the manual is devoted to this information.  There 
is an online manual (linked from the PDF manual), but it contains the same 
information and is present mostly for convenience.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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