STRIDE |
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| STRIDE 2 2 2
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| The stride (X,Y,Z) used to write the cube file (larger values result in smaller cube files). You can provide 3 numbers (for X,Y,Z) or 1 number valid for all components.
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| This optional keyword expects a list of integers. Default value: 2 2 2
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INTEGER_TOTAL_CHARGE |
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| INTEGER_TOTAL_CHARGE TRUE
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| Forces the total charge to be integer
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| This optional keyword expects a logical. Default value: T
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RESTRAIN_HEAVIES_TO_ZERO |
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| RESTRAIN_HEAVIES_TO_ZERO FALSE
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| Restrain non-hydrogen atoms to zero.
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| This optional keyword expects a logical. Default value: T
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RESTRAIN_HEAVIES_STRENGTH |
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| RESTRAIN_HEAVIES_STRENGTH 0.0001
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| The strenght of the restraint on the heavy atoms
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| This optional keyword expects a real. Default value: 9.9999999999999995E-07
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RMIN |
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| RMIN 2.1
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| specifies the minimum distance a fit point is away from an atom.
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| This optional keyword expects a real. Default unit: [angstrom], default value: 2.1000000000000001E+00
angstrom |
RMAX |
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| RMAX 2.5
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| specifies the minimum distance a fit point is away from an atom.
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| This optional keyword expects a real. Default unit: [angstrom], default value: 2.5000000000000000E+00
angstrom |