[gmx-users] checkpoint file

rama david ramadavidgroup at gmail.com
Tue Aug 14 17:09:03 CEST 2012

Hi  Juliette ,

If your data is more and because of that may be  -append not support you.

Then these may be help you ..

mdrun -v -deffnm <use different name than previous> -s <your tpr file>
-cpi ....cpt

See carefully the output and check the time  at which the run
start..Is the  starting time point matches your crash point.

lastly when run complete, use trajcat ( catenate two trajectory),
catenate two trajectory...(previous and latest)

you can also catenate edr file..

So 1st make clear that why run crash??? If no abnormality then proceed

These is the way I tackle my crash run on Gromacs 4.5.4

With best wishes and regards,
Rama David

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