[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




More information about the gromacs.org_gmx-users mailing list