[gmx-users] Extending simulations

[Soumya Lipsa Rath]

Dear Mark and Chandan,

Thank you so much for the information. I was indeed using a wrong tpr file.
I will include the -cpi state.cpt flag during the tpbconv step.

Thanks,

Soumya

On Mon, Dec 21, 2015 at 12:30 PM, Soumya Lipsa Rath <soumyalipsabt at gmail.com
> wrote:

> 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
>