BOND

NAME
BOND - Read stretching potential parameters
SYNOPSIS
BOND
...
typ1  typ2   $ K_{stretch}$ $ r_0$
...
END
DESCRIPTION
The command reads a sequence of stretching potential parameters. typ1 and typ2 are two character strings, not to exceed 7 characters, indicating the atom types of the two atoms involved in the stretching interaction. $ K_{stretch}$ and $ r_0$ are the stretching force constant and the stretching equilibrium distance, respectively. The units used for the $ K_{stretch}$ and $ r_0$ are Kcal mol$ ^{-1}$ Å$ ^{-2}$ and Å.
EXAMPLES
BOND
c    ca     469.00    1.409
c    cb     447.00    1.419
c    cm     410.00    1.444
END


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procacci 2021-12-29