[gmx-users] continue run

[Mohammadreza Niknam Hamidabad]

Hi,
you can generate a new .tpr file by extend flag ( time is in ps) then run
your code again. Please replace the names carefully. Also, check this link :

http://manual.gromacs.org/documentation/2018/onlinehelp/gmx-convert-tpr.html

gmx convert-tpr -s last.tpr -o new.tpr -extend 10000

gmx mdrun -v -deffnm new -cpi last.cpt -noappend

Best regards,
Mohammadreza Niknam Hamidabad


On Fri, Aug 16, 2019 at 12:09 PM Dhrubajyoti Maji <dmaji43 at gmail.com> wrote:

> Hi all,
>    I have a simulated trajectory of 50 ns but my desired property is not
> well converged. Therefore, I want to extend the run for another 50 ns. As
> far as I know if I use the last output files as input files for next run, I
> can finally have two 50 ns run trajectory files. But if I want a 100 ns
> trajectory then what should I do? Any kind of help will be highly
> appreciated.
> Thanks and regards.
> Dhrubajyoti Maji
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