AMBER Archive (2004)

Subject: AMBER: RESP calculation with different multiplicities

From: Sebastian Fernandez Alberti (seba_at_unq.edu.ar)
Date: Tue Aug 17 2004 - 15:44:54 CDT

Dear all,
I am trying to calculate RESP partial charges using RED-vII program.
This program run Gaussian calculations considering the system multiplicity=1
by default. Can anybody tell me what I have to change in the program
RED.pl or RED-vII.pl to consider a different multiplicity?
Thanks,
Sebastian

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu