A Note on Mathematical Relationships Among Bond-Torsion Force Fields |
| |
| Authors: | Teik-Cheng Lim |
| |
| Institution: | (1) Dean's Office, Faculty of Engineering, National University of Singapore, 9 Engineering Drive 1, Singapore, 117576, Republic of Singapore |
| |
| Abstract: | A set of mathematical relationship between torsion potential functions such as trigonometric and Fourier series is presented herein. A harmonic approximation form is also introduced, and its stiffness constant is related to the parameters of trigonometric and Fourier series. Mathematical relationships between various force field parameters are presented in the form of conversion matrices. |
| |
| Keywords: | bond torsion conversion matrices force field |
| 本文献已被 SpringerLink 等数据库收录！ |
|
