AMBER Archive (2005)

Subject: AMBER: antechamber for cyano group

From: nlxc (nlxc2000_at_yahoo.com)
Date: Thu Apr 14 2005 - 13:03:35 CDT


Hi,
 
I have a cyano group in my ligand. Antechamber can not assign the correct atom type (it gave DU) for atom N (cyano group) in prep file and harmonic force constants and bond angle for C-C (triple bond) N in frcmod file. It asks users to revise them. Any suggestions?
 
Thanks a lot in advance.
 
 

                
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