AMBER: For calculating the energy rised from deviation of equalibrium values of bond angles does amber use degree or radians

From: Li Su <suli.msu.edu>
Date: Thu, 16 Jun 2005 17:19:36 -0400

Dear amber users,

 I'm trying to find out when calculating the energy rised from deviation of
equalibrium values of bond angles whether amber uses units in degrees or in
radians. In other words, for the force constant using in amber, is it in
unit as kcal.mol^-1.degree^2 or kcal.mol.radian^-2? Thank you in advance for
your kind help.

 


Best,
Li

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Received on Thu Jun 16 2005 - 22:53:00 PDT
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