[gmx-users] How to extract frames from a simulation at regular intervals and make a new trajectory?

Justin Lemkul jalemkul at vt.edu
Sat May 11 12:44:05 CEST 2019

On 5/11/19 6:36 AM, Prasanth G, Research Scholar wrote:
> I am interested in extracting 300 snapshots from a 30ns simulation with an
> interval of 100 ps and create a  new trajectory for analysis (MMPBSA).
> files md_0_30.xtc, md_0_30.tpr..
> new trajectory to be named as md_analysis.xtc.

Use gmx trjconv -skip



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


More information about the gromacs.org_gmx-users mailing list