Dear Amber developers,
I have dihedral order parameters of initial and targeted structure. What I want to do is to define some reaction coordinates, for example 0 degree, 30 degree, 60 degree, 90 degree, and make the simulation system move along the reaction coordinates. Are there any methods to do this, like add constraints? How?
Thank you!
Best,
Yao Li
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Received on Wed Sep 12 2018 - 08:30:02 PDT
