Dear Amber Users and Developers,
I run RAMD with amber20,but I don't know which parameter represent the threshold distance (rmin).
In RAMD, if the ligand does not reach the threshold distance (rmin), a new, randomly chosen direction is given to the force on its center of mass; otherwise, the force direction is maintained.
Please help, thanks!
with regards
Tian
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Received on Sun Dec 05 2021 - 23:30:02 PST
