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.
 
 

                
---------------------------------
Do you Yahoo!?
 Yahoo! Small Business - Try our new resources site!
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu