[AMBER] umbrella sampling restraining both angle and distance

From: Thakur, Abhishek <axt651.miami.edu>
Date: Fri, 12 Aug 2016 16:50:11 +0000

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,

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Received on Fri Aug 12 2016 - 10:00:03 PDT
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