[gmx-users] LINSC WARNING

[Mark Abraham]

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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