From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Wed Dec 01 2010 - 05:35:29 CST
Hi Bidisha,
This sounds like a very good application for the recently implemented
Lowe-Andersen thermostat. It should add virtually no drag.
Best,
Jerome
On 1 December 2010 10:51, B. Nandy <nandy_at_physics.iisc.ernet.in> wrote:
> Dear NAMD user,
>
> I have question regarding SMD simulation using constant velocity pulling.
> I have noticed in different examples that one should switch of the
> constant temperature control during constant velocity SMD pulling. But
> following this method the temperature has increased unreasonably in my
> system. On the other hand using langevin on temperature remains
> constant but I am getting a huge amount of dragging force. So please
> suggest me how to deal with the dragging force when thermostat is on.
>
>
> Thanking you
>
> Bidisha Nandy
> IISc Bangalore
> India
>
>
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