STRETCHING

NAME
STRETCHING - Include stretching potentials
SYNOPSIS
STRETCHING [HEAVY]
DESCRIPTION
This command assigns a harmonic stretching potential (see Sec. 10.3.1) between covalently bonded atoms in the solute. Without argument, stretching potentials are assigned to all possible covalently bonded pairs. If the argument HEAVY is provided, bonds involving hydrogens are maintained rigid and only stretching potentials for bonded pairs involving non-hydrogen atoms are assigned.
DEFAULT
Constraints on all bonds is the default.


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procacci 2021-12-29