[gmx-users] Re: Extending run using tpbconv and mdrun

D_Roy r.dipankar at gmail.com
Thu Apr 19 12:02:37 CEST 2012


Hi, 
My computer can only manage 2ns in 8 hours. I need a 10ns of simulation run
for which I have to break up the simulation. You have mentioned using maxh
option to run the simulation. I read in the mailing list it can be used to
extend a simulation run and is a better option than tpbconv.

Can you help me out as to how to use the maxh option to extend the
simulation?

I have performed the first step with mdrun -v -deffnm protein_previous

Now how will I extend this?

Thanks,
Dipankar Roy

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Research Assistant
Sikkim Manipal University DE

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