ATOMS |
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| ATOMS {KIND1} {KIND2} {KIND3} {KIND4}
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| Defines the atomic kinds involved in the tors.
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| This required keyword expects precisely 4 words |
KIND |
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| KIND CHARMM
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| Define the kind of torsion potential
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| This optional keyword expects a keyword. Default value: CHARMM
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| valid keywords: CHARMM : Functional Form (CHARMM|G87|G96|AMBER): K * [ 1 + cos[M*PHI - PHI0]]
G87 : Functional Form (CHARMM|G87|G96|AMBER): K * [ 1 + cos[M*PHI - PHI0]]
G96 : Functional Form (CHARMM|G87|G96|AMBER): K * [ 1 + cos[M*PHI - PHI0]]
AMBER : Functional Form (CHARMM|G87|G96|AMBER): K * [ 1 + cos[M*PHI - PHI0]]
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K |
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| K {real}
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| Defines the force constant of the potential
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| This required keyword expects a real. Default unit: [hartree]. |
PHI0 |
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| PHI0 {real}
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| Defines the phase of the potential.
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| This required keyword expects a real. Default unit: [rad]. |
M |
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| M {integer}
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| Defines the multiplicity of the potential.
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| This required keyword expects an integer |