[AMBER] Convertion between Gaussian and Gaff ANGULAR Force Constant Units

From: micheal lop <peacewolfus09.gmail.com>
Date: Thu, 15 Mar 2018 19:43:15 +0300

Hi amber users,
I am trying to obtain a forcefield from quantum mechanic calculation by
using Gaussian09. In Gaussian, all force constant units are mdyne/A it
doesn't matter if it is bond or angle for gaussian but in gaff, angular
force constant unit is kcal/mol/radian^2. So my question is how can I
convert gaussian angular force const. to gaff? OR If it is possible how can
I obtain angular force constant from gaussian for *.dat file?
Thank you so much.
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Received on Thu Mar 15 2018 - 10:00:01 PDT
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