[gmx-users] Energy drift
mark.j.abraham at gmail.com
Thu Aug 21 04:01:24 CEST 2014
Repeating: how small a step is small enough to suppress the drift?
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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