[gmx-users] Extending a program

[Amir Zeb]

Hello Rahul,

Just extend the simulation time in mdp file and repeat the same commands as
you done for early 100 ns.

Best!

On Wed, Feb 22, 2017 at 10:47 PM, RAHUL SURESH <drrahulsuresh at gmail.com>
wrote:

> I have a 100ns simulated file.(md.xtc) I need to extend to another 100 ns.
>
> do i need to make any change to mdp file.?
>
> I used the command
>
>
>
> *gmx convert-tpr -s md.xtc -extend 100000 -o extend.tpr*
>
> *gmx mdrun -v -deffnm extend.tpr*
>
>
> --
> *Regards,*
> *Rahul Suresh*
> *Research Scholar*
> *Bharathiar University*
> *Coimbatore*
> --
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