[gmx-users] Two atom oscillational period less than the time step

Justin Lemkul jalemkul at vt.edu
Tue Dec 3 16:56:24 CET 2019



On 12/3/19 8:20 AM, Nikhil Maroli wrote:
> This may be due to the overlapping of the atoms or bad initial structure.

The estimate of the oscillation period comes directly from the computed 
frequency of the bond from k_b. It has nothing to do with the coordinates.

-Justin

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Justin A. Lemkul, Ph.D.
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