Next: , Previous: Energy Derivative Test, Up: Test Command

27.14.3 Vavoid Hydrogen Bond Test

The VAVOID hydrogen bond test checks the calculation of maximum distance for a given value of MAXEVDW for the hydrogen bond potential. It is invoked using the VAHB keyword. It performs the calculation for all hydrogen bond parameters and shows the distance along with the calculated energy at that distance. The keyword, MAXEVDW, is used to set a value for the cutoff energy. The default value is 20 kcal/mole.