Re: Negative Forces in SMD Simulations

From: Souvik Dey (sdey8_at_uic.edu)
Date: Tue May 26 2020 - 13:21:19 CDT

Thanks! But does that mean having a negative force is something wrong or is
it perfectly normal?

On Tue, May 26, 2020 at 1:17 PM Gumbart, JC <gumbart_at_physics.gatech.edu>
wrote:

> Your interpretation is correct. Positive and negative just mean either in
> the direction of pulling or opposite that direction.
>
> Best,
> JC
> ------------------------------
> *From:* owner-namd-l_at_ks.uiuc.edu <owner-namd-l_at_ks.uiuc.edu> on behalf of
> Souvik Dey <sdey8_at_uic.edu>
> *Sent:* Friday, May 22, 2020 5:40 PM
> *To:* NAMD list <namd-l_at_ks.uiuc.edu>
> *Subject:* namd-l: Negative Forces in SMD Simulations
>
> Dear NAMD users,
>
> I think this is a really naive question but is bothering me a lot.
>
> According to the SMD tutorial, the force can be negative if the extension
> of the SMD atom is greater than distance between the constraint points. How
> would that be theoretically possible? Does this mean that the spring gets
> recoiled?
>
>
> Regards,
> Souvik
>

-- 
Souvik Dey
Graduate Student, University of Illinois Chicago
312-774-8210 | s <souvik.dey29_at_gmail.com>dey8_at_uic.edu
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