Research Article
Augmenting High-Performance Mobile Cloud Computations for Big Data in AMBER
Table 3
Parameters required to calculate dihedral angle terms and half nonbonded terms.
| Sr. No. | Parameter | Description |
| (1) | “dihedralAngleTerms [ix7]” | All the four values of dihedral angle terms according to functional form | (2) | “coordinates [atomix3]” | , , coordinates of atom stored in array | (3) | “phiDeg” | Bend of angle represented in degree keeping in view radian to degree relationship | (4) | “app” | Intermediate variable to calculate phiDeg | (5) | “energy” | The partial value of energy due to dihedral angle terms is calculated and stored in it | (6) | “coulombFactor” | It is calculated using permittivity and permittivity scale and a constant value 116 | (7) | “halfNonBondedTerms [ix4]” | All the four values of half nonbonded terms according to functional form | (8) | “chargei” | Value of charge on atom i | (9) | “chargej” | Value of charge on atom j | (10) | “coordinates [atomix3]” | , , coordinates of atom stored in array |
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