[gmx-users] checkpoint MDRUN -cpt question

Miguel Quiliano Meza rifaximina at gmail.com
Thu Jan 21 23:13:55 CET 2010


Hi everyone.

I am a relative new user of GROMACS. I have performed some short simulations
but now I want to something big. I have been reading on the web site and
found that mdrun -.cpt option is used to generate checkpoints, I am using
GROMACS 3.3.3 but I don't find -cpt option when I call mdrun -h

I would very grateful if someone can help me with "how to do a checkpoint
with GROMACS 3.3.3?

Best Regards.
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