- 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.
procacci
2021-12-29