### 5.2 Purpose of the Various Hydrogen Bond Variables.

Variable Default Function
DUMMy Sets CUTHB and CUTHBA to zero. This will result
in no hydrogen bonds which is desirable when one
is not interested in the hydrogen bond energy.
The selection will be done very quickly in this
case.
CUTHB 4.5 Maximum distance allowed for a hydrogen bond. This
distance is measured between the heavy atoms
CTOFHB CUTHB-0.5 Distance where distance switching function is off
Once specified, it will only change if respecified.
CTONHB CTOFHB-0.5 Distance where distance switching function is on.
Once specified, it will only change if respecified.
CUTHBA 90.0 Maximum out of line angle allowed for a three
atom hydrogen bond. The angle is 180 - D--H...A angle.
If this value is less than or equal to 0,
then all possible angles will be allowed.
CTOFHA CUTHBA-20.0 Angle where angle switching function is off
Once specified, it will only change if respecified.
CTONHA CTOFHA-20.0 Angle where angle switching function is on.
Once specified, it will only change if respecified.