MM2 parameters
Hi! I would like to have MM2 torsion parameters (i.e. v1,v2, & v3
values) for the following bonds:
Csp2 - Csp3 - Csp - Csp
Osp3 - Csp3 - Csp - Csp
Csp3 - Csp - Csp - Csp2
Csp2 - Csp2 - Csp - Csp
Osp3 - Csp2 - Csp - Csp
Csp2 - Osp3 - Csp2 - Csp
These bonds are from the following moiety in the molecule:
R-Csp-Csp-Csp3-Furan
I'd like to be directed to the appropriate reference or have the v1,v2 & v3
values.
Any help would be appreciated very much.
Thanks in advance,
sincerely,
Chaya Duraiswami
Email: Cdurai1.,at,.uic.edu