Dear Rafal,
good catch: there was actually a bug in getUFFAngleBendParams(), where
the theta0 value (in radians) was multiplied by the RAD2DEG conversion
factor before being returned to the user (which is correct, since theta0
values in the UFF parameters are given in radians),but then,
Dear all,
I try to reproduce UFF's Kijk (bend force constant).
In source code in the file Code/ForceField/UF/AngleBend.cpp I found
calcAngleForceConstant function. Equations in this function are the
same as in UFF Paper (JACS from 1992), however results obtained from this
function (equations)
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