[gmx-users] Generating mdout.mdp

[Justin Lemkul]

On 12/16/19 6:45 PM, Dorj Bat wrote:
> Dear GMX users,
> I would like to check my old simulations. I have only tpr, trr, cpt, and edr files. Can I get mdp options that I used for the runs?Please advice me.

Use gmx dump on the .tpr file and save the output to a text file.

-Justin

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Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

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