AMBER: distance restraint simulation

From: Ed Pate <>
Date: Tue, 27 Dec 2005 10:36:44 -0800 (PST)

I am attempting to do a distance restraint simulation. The result I am
getting is quite a bit off from what would be expected from experimental
data, and I am trying to track down my problem.

Do I understand correctly that the units for the amber force constants rk2
and rk3 in distance restraint simulations are kcal/mol/A^2?


Ed Pate

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Received on Wed Jan 04 2006 - 18:16:59 PST
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