[gmx-users] Extending simulation

[Naveen BK]

gmx mdrun -s  md_0_60.tpr   -cpi  md_0_10.cpt   -noappend

this command will start from previous step.
Thanks and Regards,
Naveen BK,
MSc in bioinformatics,
+918123474717.


On Fri, Jan 3, 2020 at 5:23 PM Shradheya R.R. Gupta <
shradheyagupta at gmail.com> wrote:

> Hello,
> I have done simulation for 50 ns. After visualizing I came to the
> conclusion that it need more simulation of 10 ns.
> To do so I use :
>
> gmx convert-tpr -s md_0_10.tpr -extend 10000 -o md_0_60.tpr
>
> It showed:
> Reading toplogy and stuff from md_0_10.tpr
> Reading file md_0_10.tpr, VERSION 2019 (single precision)
> Extending remaining runtime of by 10000 ps (now 30000000 steps)
> Writing statusfile with starting step          0 and length   30000000
> steps...
>                                  time      0.000 and length  60000.000 ps
>
> Then I used:
> gmx mdrun -s  md_0_60.tpr -cpi md_0_10.cpt -deffnm md_0_10
>
> The simulation started for 60 ns instead of which I want it start from the
> 50 ns
>
> how to do this
>
> thanks
> --
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