[AMBER] MCBP force constants

From: Seibold, Steve Allan <stevesei.ku.edu>
Date: Wed, 25 Jul 2018 17:23:02 +0000

I am working my way through MCBP (not MCBP.py) tutorial. I have gotten to the point of

"Gaussian based Side Chain Model Optimization and Frequency Calculation". At this point from my understanding I must select the method for force constant calculation..i.e. Z-matrix or the Seminario method...However, I don't understand how I am to select.?? Is this a method I select in Gaussian (I can't find it in G03)?

Thanks, Steve
AMBER mailing list
Received on Wed Jul 25 2018 - 10:30:03 PDT
Custom Search