[gmx-users] -t option?

[Hadi Rahmaninejad]

Thank you Peter,
Best,
Hadi

On Thu, Sep 19, 2019 at 8:29 AM Peter Kroon <p.c.kroon at rug.nl> wrote:

> Hi Hadi,
>
>
> to expand a little on Mahdi's (correct) answer:
>
> The checkpoint file contains coordinates and velocities in full
> precision (unlike .gro and .xtc files). In addition, it contains the
> state of the thermostat and barostat (if applicable). The
> thermo/barostat states are not present in the gro/mdp/tpr files, since
> they depend on the history of your system. Because of this, including
> the checkpoint file to continue your simulation is always a good idea.
>
> See also: `gmx mdrun -h` and `gmx grompp -h`.
>
>
> Peter
>
> On 19-09-19 05:13, Hadi Rahmaninejad wrote:
> > Thanks Mehdi,
> >
> > Best,
> > Hadi
> >
> > On Wed, Sep 18, 2019 at 12:38 PM Mahdi Bagherpoor <mehdi.bpour at gmail.com
> >
> > wrote:
> >
> >> Hi Hadi,
> >>
> >> It is well explained in Gromacs tutorial, in the below:
> >> http://www.mdtutorials.com/gmx/lysozyme/07_equil2.html
> >>
> >> "Note that we are now including the -t flag to include the checkpoint
> file
> >> from the *NVT* equilibration"
> >>
> >> Cheers,
> >> Mahdi
> >> On Wed, Sep 18, 2019 at 5:43 PM Hadi Rahmaninejad <
> ha.rahmaani at gmail.com>
> >> wrote:
> >>
> >>> Hello dear users,
> >>>
> >>> I am going to run a simulation according to a tutorial, but there is an
> >>> option of "-t nvt.cpt" that I don't know what is it, and I couldn't
> find
> >>> any explanation for that. I appreciate if any of you can give me a
> short
> >>> description of what is that doing,
> >>>
> >>> Best wishes,
> >>> Hadi
> >>> --
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