In a MOZYME calculation, any errors in net charge are automatically corrected unless CHARGE=n is present. In this example, CH3-NH3 is obviously a cation (methyl ammonium cation), but in the data set shown here, no charge is specified. Because of this, when the job is run the correct charge is calculated, and the output and ARC files will be correct.
Data-set:
mozyme Methylammonium ion, no charge is specified, therefore the charge is assigned at run time C 0.00000000 +0 0.0000000 +0 0.0000000 +0 N 1.50605484 +1 0.0000000 +0 0.0000000 +0 1 0 0 H 1.03644234 +1 110.9040994 +1 0.0000000 +0 2 1 0 H 1.03643101 +1 110.9036359 +1 120.0082541 +1 2 1 3 H 1.03641712 +1 110.8984303 +1 119.9977109 +1 2 1 4 H 1.11206587 +1 111.8774978 +1 60.0148557 +1 1 2 3 H 1.11205744 +1 111.8759622 +1 119.9971123 +1 1 2 6 H 1.11209052 +1 111.8816803 +1 120.0004127 +1 1 2 7