pdie¶
Specify the dielectric constant of the solute molecule. The syntax is:
pdie {diel}
where diel
is the floating point value of the unitless biomolecular dielectric constant.
This is usually a value between 2 to 20, where lower values consider only electronic polarization and higher values consider additional polarization due to intramolecular motion.
The dielectric value must be \(\ge 1\).