[gmx-users] The command for edr file

[RAHUL SURESH]

On Wed 10 Apr, 2019, 9:54 AM mmousivand93, <mmousivand93 at ut.ac.ir> wrote:

> Dear Dr.
>
> Thanks a lot, what is the correct command for getting *.edr using trr
> and tpr files? the command " gmx mdrun -s *.tpr  -rerun *.trr -e *.edr
> is correct?
>

Yea hopefully. Check manual or any other possibilities using gmx mdrun --h

>
>
> Best regards
>
> Maryam
>
> On 2019-04-10 08:26, RAHUL SURESH wrote:
>
> > If you have trr file you can obtain the energy file using gmx rerun
> option
> >
> > On Wed 10 Apr, 2019, 9:24 AM mmousivand93, <mmousivand93 at ut.ac.ir>
> wrote:
> >
> >> Dear users
> >>
> >> Is there any command for getting *.edr file without performing  mdrun,
> >> if we have *.gro, *.tpr, *. trr and *.log files?
> >>
> >> Best regards
> >> --
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