[gmx-users] continuation with different dt values

[Mark Abraham]

Hi,

You can do as you please, the data fields are all dumb. However some tools
will notice the discontinuity, or fail to notice, so I would encourage you
to avoid doing this unless there's some scientific reason that suggests it.

Mark

On Tue, 4 Apr 2017 00:04 Dayhoff, Guy <gdayhoff at health.usf.edu> wrote:

> Hi,
>
>    I’m continuing a run and setting init-step as the total steps completed
> in the run i’m continuing from,
> if I change the dt for the continuation do I need to scale the steps
> previously taken? i.e going from dt = 1
> to dt =2, completing 100 steps in the first sim, does init-step take the
> value 100 regardless of the change in dt?
>
> My Best,
>    Guy Dayhoff
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.