AMBER: RESP charge fitting using antechamber

From: Wei Chen <>
Date: Sat, 29 Dec 2007 14:22:16 -0500

Hi all,

I need to prepare a .prep file for a non-standard amino acid residue. I
followed the procedure in the tutorial As a test, I generated a
ACE-VAL-NME tripeptide. Going through all steps with antechamber and
gaussian 03, I get a prep file for Valine. However, the charge of each atom
is quite different from that in Could anybody tell me what
the reason is?

Thank you!

Wei Chen

The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" to
Received on Sun Dec 30 2007 - 06:07:34 PST
Custom Search