Re: AMBER: SMD pulling velocity

From: Gustavo Seabra <gustavo.seabra.gmail.com>
Date: Tue, 10 Jun 2008 10:22:48 -0400

> In the steered MD, the pulling is carried out at constant velocity is this
> deduced straightforward from the reaction distance and the simulation time

That is basically true. In the general case,

   pulling speed = ( r2a - r2 ) / nstlim

Gustavo.
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Received on Wed Jun 11 2008 - 06:07:47 PDT
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