Dear All,
Is there any reference or document to understand the
followings,
'The relative energies of three stationary
points on the energy surfaces were selected to derive
the corresponding torsional parameters.',
which is described in Junmei et al. 1999.
It seems to be that the method is described in Appendix C,
'Parameter Development'. If so, how to derive the
specific torsional energy from Gaussian98's output?
because I could just get the whole energy of the
molecule after the potential energy surface scans.
I'm sorry if this is an easy question, because I'm
not very familiar to Gaussian.
Thank you for your help in advance.
Best Regards,
sychen.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri Aug 08 2003 - 12:53:00 PDT
