AMBER Archive (2003)

Subject: antechamber and gamess

From: Arvid Soederhaell (arvid_at_fmp-berlin.de)
Date: Wed Jan 29 2003 - 09:08:00 CST

Hi all

I would like to start using antechamber but it looks like it needs
gaussian output for proper assignment of resp charges. Is this correct?
Previously I have used gamess for generation of a ESP input to the RESP
program. Can't I use that for antechamber?

What is the general oppinion about using, for example Gasteiger charges
instead of resp charges? Isn't resp considered to be the best in
combination with amber f.f.?

 Thanks in advance
 
     Arvid Soderhall