[gmx-users] LINSC WARNING

[Vy Phan]

Thank a lot for your suggestion.

Tuong VY

2015-05-22 20:21 GMT+09:00 Mark Abraham <mark.j.abraham at gmail.com>:

> Hi,
>
> Start by learning what makes a time step stable, e.g. manual 6.8
>
> Mark
>
> On Fri, May 22, 2015 at 10:51 AM Vy Phan <phanvy120690 at gmail.com> wrote:
>
> > Dear Gromacs Users,
> > When I run npt equilibrium, I set the step  size is 4fs. I go many LINCS
> > WARNING
> > "bonds that rotate more than 30 degrees"
> >
> >
> > When I reduce the step size to  2fs. All thing is fine.
> >
> > Could someone here explain to me?
> > Finally, I want to use step size is 4fs. Any suggestions for me?
> >
> > Thank you
> > Tuong Vy
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