AMBER Archive (2005)

Subject: AMBER: gaff atom types

From: Claudio Morgado (lupusfortis_at_alexandria.cc)
Date: Fri Apr 15 2005 - 12:11:18 CDT

Dear Amber users,
 
When preparing a prepi file for CH3(CN), antechamber assigned hc
type to the hydrogen atoms. I was expecting to get h1 type for
these hydrogens (hydrogen on aliphatic carbon with 1 electron
withdrawing group). Does that mean that the cyano group is not
considered as electron withdrawing group when attached to an
aliphatic carbon?
 
Any help you could give me would be greatly appreciated.
 
Claudio
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