Re: steered molecular dynamics with multiple molecules

From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Thu Jul 05 2012 - 05:10:50 CDT

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Hi Artturi,

You can implement SMD with moving harmonic restraints within the
collective variables module. This lets you define a moving restraint
acting on several coordinates at once, or if you prefer, several
completely independent restraints.

Best,
Jerome

On 4 July 2012 12:19, Koivuniemi Artturi <Artturi.Koivuniemi_at_vtt.fi> wrote:
> Hi,
>
>
>
> Is it possible to pull several molecules at the same time by using SMD
> package of NAMD?
>
>
>
> Best regards,
>
> Artturi

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