[gmx-users] LINSC WARNING
mark.j.abraham at gmail.com
Fri May 22 13:21:22 CEST 2015
Start by learning what makes a time step stable, e.g. manual 6.8
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
> "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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