BENDING

NAME
BENDINGS - Read angle bending potential parameters
SYNOPSIS
BENDINGS
...
typ1 typ2 typ3   $ K_{angle}$ $ \theta_0$
...
END
DESCRIPTION
The command reads a sequence of angle bending potential parameters. typ1, typ2 and typ3 are three character strings, not to exceed 7 characters, indicating the atom types of the three atoms involved in the angle bending interaction. $ K_{angle}$ and $ \theta_0$ are the angle bending force constant and the equilibrium angle, respectively. The units used for the $ K_{angle}$ and $ r_0$ are Kcal mol$ ^{-1}$ rad$ ^{-2}$ and degree.
EXAMPLES
BENDINGS
cb   c    na      70.00   111.30
cb   c    o       80.00   128.80
cm   c    o       80.00   125.30
n*   c    na      70.00   115.40
END


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procacci 2021-12-29