[gmx-users] Switching Group to Verlet

[Mark Abraham]

Hi,

No, that's not general. Your approach is right - edit your .mdp file and
re-run grompp. Just pay closer attention ;-)

Mark

On Fri, Oct 21, 2016 at 2:49 PM Mahmood Naderan <mahmood.nt at gmail.com>
wrote:

> OK. I verified that the cutoff parameter inside the trp file is Group
>
> mahmood at cluster:gromacs-5.1$ ./bin/gmx_mpi dump -s ~/LPN/topol.tpr | grep
> cutoff
> ...
> Note: file tpx version 83, software tpx version 103
>    cutoff-scheme                  = Group
>
>
>
>
>
> Now, according to this reply (by you Mark)
> https://www.mail-archive.com/gmx-users@gromacs.org/msg63038.html, it
> *should be* possible to overwrite the cutoff parameter of the binary file
> as I run the mdrun_mpi (similar to nsteps).
>
> Could you please tell me, what is the correct option for that? I didn't
> find any relevant option for mdrun_mpi.
>
>
>
>
>
> Regards,
> Mahmood
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