[gmx-users] checkpoint MDRUN -cpt question

Erik Marklund erikm at xray.bmc.uu.se
Thu Jan 21 23:18:31 CET 2010

Miguel Quiliano Meza skrev:
> 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. 
You can't. Try gromacs 4.0.X. Why are you using an ancient version?

Erik Marklund, PhD student
Laboratory of Molecular Biophysics,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,    75124 Uppsala, Sweden
phone:    +46 18 471 4537        fax: +46 18 511 755
erikm at xray.bmc.uu.se    http://xray.bmc.uu.se/molbiophys

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