[gmx-users] Resuming of calculation from last *.cpt

James Starlight jmsstarlight at gmail.com
Thu Sep 13 07:12:41 CEST 2012


Dear Gromacs Users!


I'm looking for possible way to resume trajectory calculations after
that calculations have been stoped.


Typically in such cases I start new task using cpt file from
incomplete run. This produce new trajectory which start from the last
frame of previous run. After that I have to merge both files.

Is there any way to go on sinulation in the existed files from the
last frame of incomplete run without creating of new ones?


Thanks for help

James



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