Re: SMD for two steered directions

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Sun Apr 17 2011 - 14:31:36 CDT

Hi,

You can use the Collective Variables module to define any number of moving
restraints in a very flexible way.

Jerome

On 17 April 2011 20:53, felmerino_at_uchile.cl <felmerino_at_uchile.cl> wrote:

> Hey,
>
>
>
> The "trick" that some people use to steer two atom groups in different
> directions is to define one of them using the SMD part of NAMD while using
> tcl forces for the other. For a SMD pulling it should be pretty easy to
> build a script.
>
>
>
> best
>
>
>
> felipe
>
> ----Mensaje original----
> De: changshanyan_1_at_yahoo.cn
> Fecha: 17-abr-2011 10:51
> Para: <namd-l_at_ks.uiuc.edu>
> Asunto: namd-l: SMD for two steered directions
>
>
> Dear experts
> When I was using SMD method to simulate a transmembrane protein, I came
> into a dilemma. The tutorial only mentions how to define one single steered
> direction, but I need to define two directions to make it more practical. Is
> there any way to make it?
> It would be my great honor to share thoughts with you and I am looking
> forward to your reply. Thank you very much!
> Best wishes!
> changshanyan from
> Tianjin University of China
>
>
>
>

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