[gmx-users] restarting a crashed job

Payman Pirzadeh ppirzade at ucalgary.ca
Tue Aug 30 05:14:25 CEST 2011


My simulation crashed in the middle and I used the "-cpi checkpoint.cpt
-append" option to continue. However, GROMACS cannot continue and complains
about not being able to open the corresponding .trr file. I checked my
folder, the trr file is there and the name is the same as the *.tpr and
*.cpt files. What else could have caused this problem?





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