[gmx-users] Warning

[Quyen Vu]

Hi,
I think he got this warning due to he did not constraint the H-bond in his
simulation while he used a timestep of 2fs

On Mon, Jul 15, 2019 at 11:20 AM Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> As it says, your time step is too large to be a valid model of that bond
> interaction. Where did it come from?
>
> Mark
>
> On Mon., 15 Jul. 2019, 10:32 Bratin Kumar Das, <
> 177cy500.bratin at nitk.edu.in>
> wrote:
>
> > Dear All,
> >              I am getting the following error during running REMD
> > The bond in molecule-type Protein between atoms 49 OH and 50 HH has an
> >   estimated oscillational period of 9.0e-03 ps, which is less than 5
> times
> >   the time step of 2.0e-03 ps.
> >   Maybe you forgot to change the constraints mdp option.
> > What could be the reason.....
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