[gmx-users] output frequency modification
beavered at gmail.com
Tue Sep 29 09:47:54 CEST 2009
I have partially computed trajectory (several ns), but I need to modify one
simulation option at the current time: the output frequency. And to continue
the simulation with new output frequency from that point.
May I "decompile" a .cpt checkpoint file in one way or another to get .tpr
with my modified option?
Or how can I do this in another way?
Thanks for help,
ChemBio Center, Taras Shevchenko National University, Kiev, Ukrane.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users