[gmx-users] Switching Group to Verlet

[Mark Abraham]

Hi,

Your tpr is using the group scheme. So you must be not using the .tpr you
intend, or not using the .mdp you intend, or grompp failed to make a tpr
and you didn't notice it and are using an old one. :-)

Mark

On Fri, Oct 21, 2016 at 12:36 PM Mahmood Naderan <mahmood.nt at gmail.com>
wrote:

> Excuse me... this is a better output that shows the inconsistency
>
> mahmood at cluster:LPN$ grep -r cutoff .
> ./grompp.mdp:cutoff-scheme       = Verlet
> ./rest.mdp:cutoff-scheme       = Verlet
> ./md100.mdp:cutoff-scheme       = Verlet
> ./md.log:   cutoff-scheme                  = Group
> ./mdout.mdp:cutoff-scheme            = Verlet
>
>
> Where is the code, the scheme has been changed to Group?
>
> Regards,
> Mahmood
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