[gmx-users] Extending simulations

Soumya Lipsa Rath soumyalipsabt at gmail.com
Mon Dec 21 04:31:30 CET 2015


Dear Gromacs users,

I am trying to extend my simulation for 200ns by using:

tpbconv_mpi -s topol.tpr -extend 200000 -o topol2.tpr
mdrun_mpi -s topol2.tpr -cpi state.cpt -append -maxwarn 5 >&
grompp_output.log

However, my simulation has only extended for 50ns. Am I doing something
wrong?

Thanks,

Soumya


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