[gmx-developers] convert-tpr documentation inconsistenci
boristim at mail.ru
Thu Feb 15 23:27:05 CET 2018
gmx convert-tpr [-s [<.tpr>]] [-n [<.ndx>]] [-o [<.tpr>]]
[-extend <real>] [-until <real>] [-nsteps <int>]
Restarts without checkpoint files¶
It is possible to perform an exact restart a simulation if you lack a checkpoint file but
have a matching pair of frames in a trr and edr file written by gmx mdrun. To do this, use
gmx convert-tpr -s old.tpr -e matching.edr -t matching.trr -o new.tpr
But in 2018 release no options '-e' and '-t'!
For what it was necessary to cripple this very convenient team?
Many user scripts on it were tied.
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