[gmx-users] Energy drift

[Mark Abraham]

Hi,

Repeating: how small a step is small enough to suppress the drift?

Mark


On Wed, Aug 20, 2014 at 10:42 PM, Xiaobin Cao <xcao at lsu.edu> wrote:

> Hi, Mark. I tested my system today with NVE and time step =1fs and 0.5fs.
> The drift still exists. I didn't test the system by double precision
> GROMACS yet.
>
> Thank you.
>
> _____________________________________________
> Xiaobin Cao
> Dept of Geology & Geophysics
> E235, Howe-Russell Geosciences Complex,
> Louisiana State University, Baton Rouge, LA 70803, U.S.A.
>
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