From: Maria Bykhovskaia (mb.ucdelcaribe_at_gmail.com)
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?
Thanks,
Maria
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