Re: [AMBER] Velocity autocorrelation

From: George Giambasu <giambasu.gmail.com>
Date: Wed, 07 Jun 2017 09:13:22 -0400

Your plot seems to capture only the long time behavior of the velocity autocorrelation function (VAC). Water velocities de-correlate pretty quickly: probably on ~10-50 fs time intervals and to get the full details of the VAC you want o write the velocities with a higher frequency (few fs).

George

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Received on Wed Jun 07 2017 - 06:30:03 PDT
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