From: Peter Freddolino (petefred_at_umich.edu)
Date: Tue May 26 2020 - 13:30:11 CDT
Example system: You trying to lower a ball to the ground at 1 cm/s
Example reaction coordinate: (0,0,-1)
What would the force be in the SMD convention?
On Tue, May 26, 2020 at 2:25 PM Souvik Dey <sdey8_at_uic.edu> wrote:
> 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>
>> Your interpretation is correct. Positive and negative just mean either
>> in the direction of pulling or opposite that direction.
>> *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?
> Souvik Dey
> Graduate Student, University of Illinois Chicago
> 312-774-8210 | s <souvik.dey29_at_gmail.com>dey8_at_uic.edu
> [image: https://www.linkedin.com/in/souvik-dey-4883a236/]
> <https://www.linkedin.com/in/souvik-dey-4883a236/> [image:
> https://twitter.com/unputdownable_s] <https://twitter.com/unputdownable_s>
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