[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

-- 
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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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