[gmx-users] checkpoint MDRUN -cpt question

[Dallas B. Warren]

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.warren at 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-bounces at gromacs.org
[mailto:gmx-users-bounces at gromacs.org] On Behalf Of Miguel Quiliano Meza
Sent: Friday, 22 January 2010 9:14 AM
To: gmx-users at 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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