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CHAPTER 5. CALCULATING FORCE AND ENERGY name lower upper sigma type FLOAT FLOAT FLOAT beta fc FLOAT FLOAT group1 group2 INTEGER INTEGER 62 description lower bound for flat-bottomed region in LENGTH upper bound for flat-bottomed region in LENGTH width of harmonic region in LENGTH for r > upper slope of linear region in ENERGY/LENGTH overall proportionality constant in ENERGY/LENGTH2 tag for first group with specified parameters tag for second group with specified parameters Table 5.11: Schema for the stretch fbhw table. name p0 group type INTEGER INTEGER description particle id group for given particle Table 5.12: Schema for the stretch fbhw term table. name fc theta0 sigma p0 p1 p2 type FLOAT FLOAT FLOAT INTEGER INTEGER INTEGER description force constant in ENERGY/RADIANS2 equilibrium angle in DEGREES half-width of flat-bottomed region in DEGREES first particle second particle third particle Table 5.13: Schema for the angle fbhw table. name fc phi0 sigma p0 p1 p2 p3 type FLOAT FLOAT FLOAT INTEGER INTEGER INTEGER INTEGER description force constant in ENERGY/RADIANS2 equilibrium improper dihedral angle in DEGREES half-width of flat-bottomed region in DEGREES first particle second particle third particle fourth particle Table 5.14: Schema for the improper fbhw table.
