[gmx-users] Extending a program

[RAHUL SURESH]

dear Amir
it is mandatory to change the mdp file?

And what change should i do in that?

On Thu, Feb 23, 2017 at 12:20 PM, Amir Zeb <zebamir85 at gmail.com> wrote:

> 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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-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*