AMBER Archive (2005)

Subject: AMBER: distance restraint simulation

From: Ed Pate (pate_at_math.wsu.edu)
Date: Tue Dec 27 2005 - 12:36:44 CST

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?

Thanks,

Ed Pate

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