[gmx-users] Warning

[Mark Abraham]

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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