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

[Justin A. Lemkul]

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:

http://www.gromacs.org/Documentation/How-tos/Doing_Restarts

-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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