[gmx-users] Coordinates of structures from a .trr file

Justin Lemkul jalemkul at vt.edu
Sun Jun 2 00:58:55 CEST 2019

On 6/1/19 6:22 PM, Neena Susan Eappen wrote:
> Hello gromacs users,
> How to extract coordinates (and thereby make a PDB file) for say structure at time 200 ps from a 1 ns production run?

gmx trjconv -dump 200 -f md.tr -o frame_200ps.pdb



Justin A. Lemkul, Ph.D.
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