[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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