[gmx-users] continue run

[Dhrubajyoti Maji]

Thanks both of  you  for your useful suggestions. I'll check accordingly.
Thanks again for help.
Dhrubajyoti


On Fri, 16 Aug 2019 at 15:50, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 8/16/19 6:09 AM, Dhrubajyoti Maji 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.
>
> By default, mdrun will append to the trajectory and give you one file.
> If it can't (or you don't want it to, via -noappend), this is what
> trjcat is for.
>
> -Justin
>
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>
> Justin A. Lemkul, Ph.D.
> Assistant Professor
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