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
--
========================================
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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