From: Gumbart, JC (gumbart_at_physics.gatech.edu)
Date: Tue May 26 2020 - 13:17:03 CDT
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
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