Dear Amber users,
I defined two dihedral angles as reaction coordinates in running ABMD with Amber18. One of the dihedral angle range from 43 to 220 degrees, and I have to set cv_min=-3.141593, cv_max=3.141593 to make the program run without error. I'd like to know how do you deal with those periodic cv? Will the cv_min and cv_max values mentioned above affect the output of the ABMD? Thank you!
Best,
Yao Li
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Received on Wed Mar 20 2019 - 09:30:02 PDT
