Have a read of http://www.gromacs.org/Documentation/How-tos/Extending_Simulations in particular the section down the bottom that is appropriate for the version of GROMACS you are using.
Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3010 dallas.war...@pharm.monash.edu.au +61 3 9903 9167 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of Miguel Quiliano Meza Sent: Friday, 22 January 2010 9:14 AM To: gmx-users@gromacs.org Subject: [gmx-users] checkpoint MDRUN -cpt question 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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