question about SMD

From: Maria Bykhovskaia (
Date: Tue Aug 20 2019 - 14:44:32 CDT

I run steered MD with the velocity 10E-6 ( SMDVel 0.000001 ) and k=0.2
(SMDk 0.2).

I find that my protein moves at a distance of 10A in 10E6 steps.

How could this happen? - I thought that the maximal distance it could move
would be vt, which is 1 A per 10E6 steps in my case .

The dependence of the coordinate on the time-step is almost linear during
the initial 10E6 steps.

Am I missing something?


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