[gmx-users] Switching Group to Verlet

[Mark Abraham]

Hi,

This is an energy minimization. Its behaviour is to print every step, and
if that's verbose, it doesn't matter for the number of steps that are
typically required. A dynamical simulation has different needs and works
differently.

Mark

On Fri, Oct 21, 2016 at 4:34 PM Mahmood Naderan <mahmood.nt at gmail.com>
wrote:

> One more question.
> Currently, gromacs prints the output on every step!
>
> Step=  159, Dmax= 3.8e-03 nm, Epot= -8.39592e+05 Fmax= 2.45536e+03, atom=
> 2111
> Step=  160, Dmax= 4.6e-03 nm, Epot= -8.39734e+05 Fmax= 4.30685e+03, atom=
> 2111
> Step=  161, Dmax= 5.5e-03 nm, Epot= -8.39913e+05 Fmax= 3.78613e+03, atom=
> 2111
>
> Can you please tell me how to increase the print step? What is the
> appropriate switch for that?
>
>
> Regards,
> Mahmood
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