[AMBER] Steered molecular dynamics Simulation

From: Pinky Mazumder <pmazumder67.gmail.com>
Date: Fri, 24 Jul 2020 21:47:39 -0500

Hi all,


I have performed a steered molecular dynamics simulation of two cellulose
chains. I have followed the
https://ambermd.org/tutorials/advanced/tutorial26/section1.html tutorial.

After that, when I have plotted the shear* force vs displacement* curve, I
get some negative value of shear forces. ( Figure is attached). Please find
it.

Any suggestion would be appreciated.


Thank you.

Regards,
-- 
Pinky, Sharmi
PhD Student
UA
AL,USA



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Received on Fri Jul 24 2020 - 20:00:04 PDT
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