[gmx-users] Extracting .gro file from a crashed run

Justin A. Lemkul jalemkul at vt.edu
Wed Jul 27 16:26:50 CEST 2011

shivangi nangia wrote:
> Hello dear users,
> I was running a simulation which crashed (without writing output.gro file)
> Is there a way to extract the .gro file somehow from .trr or any other file?

trjconv -dump

To do a restart, there is no need to extract intermediate frames, FYI.  See:




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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