ATOM_INDEX_1 |
|
| ATOM_INDEX_1 integer
|
| Specifies the index of the first atom defining the direction along which the atom will be added
|
| This optional keyword expects an integer |
| variants: MM1 |
ATOM_INDEX_2 |
|
| ATOM_INDEX_2 integer
|
| Specifies the index of the second atom defining the direction along which the atom will be added
|
| This optional keyword expects an integer |
| variants: MM2 |
ALPHA |
|
| ALPHA real
|
| Specifies the scaling factor that defines the movement along the defined direction
|
| This optional keyword expects a real |
RADIUS |
|
| RADIUS real
|
| Specifies the radius used for the QM/MM electrostatic coupling for the added source
|
| This optional keyword expects a real. Default unit: [angstrom], default value: 8.0000000000000004E-01
angstrom |
CORR_RADIUS |
|
| RADIUS real
|
| Specifies the correction radius used for the QM/MM electrostatic coupling for the added source
|
| This optional keyword expects a real. Default unit: [angstrom], default value: 8.0000000000000004E-01
angstrom |
CHARGE |
|
| CHARGE real
|
| Specifies the charge for the added source of QM/MM potential
|
| This optional keyword expects a real. Default value: 0.0000000000000000E+00
|