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?
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-----------------------------------------------
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
[email protected] http://xray.bmc.uu.se/molbiophys
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