Hi everyone,
I was just wondering that is is possible to restrain both distance and angle at a same time in umbrella sampling.
What I want is to restrain my ligand at a distance between 1.2 to 3.4 angstrom and at an angle between 150 to 180 degrees.
Everywhere I can see either they restrain angle or distance.
Thanking you,
Abhishek
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Received on Fri Aug 12 2016 - 10:00:03 PDT
