Torsional AngleΒΆ
The functional form implemented in Tinker is
\[U = \sum_{n=1}^6 V_n[1+\cos(n\phi-\delta_n)],\]
where n is the periodicity (up to 6) and \(\delta_n\) is the corresponding phase shift.
The functional form implemented in Tinker is
where n is the periodicity (up to 6) and \(\delta_n\) is the corresponding phase shift.