AMBER Archive (2003)

Subject: Flag for antechamber

From: Nick Polfer (nick.polfer_at_ed.ac.uk)
Date: Wed Jun 18 2003 - 03:59:01 CDT

Dear amber user

I am trying to build new amino acid residues in Xleap, based on existing
residues (slight modifications). I am using Gaussian 98 (Windows edition) to do
the electrostatic charge fitting. I then want to do the RESP procedure in
antechamber, for which I rename the '.gof' (Gaussian Output File) to a '.out'
extension. However, there seems to be a problem as antechamber crashes. Is
there a flag that I need to set in antechamber for it to recognise that this is
a Window based Gaussian output file (as opposed to UNIX based- '.log')

best regards

Nick

Nick Polfer
School of Chemistry
West Mains Road
Edinburgh EH9 3JJ
United Kingdom
++44 131 651 3039
++44 131 651 3048 (fax)