AMBER: RED vIII-lack of charges in mol2

From: Neha Gandhi <>
Date: Sat, 29 Nov 2008 23:24:30 +0900


I am trying to derive RESP A1 charges. I am using Gaussian. RED
finishes normally without any errors, (RED.log is absolutely OK)

I did apply the bug fixes available from the R.E.D. web site. The
missing files are: > punch2_m1 > qout2_m1. The query is similar to
the one posted before

The molecule for which I am trying to compute the charges is quite
big: 123 atoms. The charge is -10 and multiplicity is set to 1.

Neha Gandhi,
School of Biomedical Sciences,
Curtin University of Technology,
GPO Box U1987 Perth,
Western Australia 6845
The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
Received on Fri Dec 05 2008 - 18:10:21 PST
Custom Search