[gmx-users] creating a checkpoint file
hmkvsri at gmail.com
Thu Jul 25 15:24:45 CEST 2013
For some unknown reasons checkpoint file are not
being created if -cpo is not mentioned (in 4.5.3). Now
I have a trajectory of ~10ns without a checkpoint file.
I tried the following -
tpbconv option to create a new .tpr file so that I can
start form the point I stopped. But manual mentions
the cpt file has to be used.
So my question is -
1. Is it ok if I us the new tpr file created using tpbconv
to continue the simulation
2. If not how can I create a checkpoint file now?
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