---------- Forwarded message ----------
Date: Thu, 22 Aug 2002 15:59:11 -0500
From: Anand Narayanan <an6640_at_tntech.edu>
To: amber_at_heimdal.compchem.ucsf.edu
Subject: regarding RESP run from gamess output
hi
I would like to calculate the charges on a molecule using RESP from gamess
input. I found your suggestion and method to do it , I thank you for helping
out so many people like me.
I have a specific question ? the RESP downloadable code available with your
answer in site
http://amber.ch.ic.ac.uk/Questions/resp2.txt
can independently executed or I would want amber package(i dont have it) to
run the RESP code. I would appreciate if you would suggest me the way of
running the RESP code with the output files of gamess. I have two output files
1. output.txt and
2.PUNCH file
which one i should use as the data file for the resp and should I do any
modifications to the output file to execute the RESP ??
thanks for spending your valuable time in reading this mail and have a nice
day.
regards
anand
Received on Mon Aug 26 2002 - 14:50:55 PDT
