AMBER: RESP charge derivation using the Ante_R.E.D. and R.E.D. III programs... problems

From: ABEL Stephane 175950 <>
Date: Fri, 12 Dec 2008 17:41:19 +0100

hi Amber user

I post this message in this mailing since Ante_R.E.D. and R.E.D. III programs are used by the amber communoty

I am currently doing the tutorial for resp derivation Ante_R.E.D. and R.E.D. III programs

I obtained the optimized geometry with gaussian 03 and the p2n files for acetate and Methylammonium. Now I would like to compute the resp charge for this molecules with R.E.D. III

as describe in the tutorial I have changed some parameters in p2n files and I did the command

perl > RED-vIII.log for this 2 molecules but I obtained a error "ERROR: The initial P2N file can not be found" how to do with and p2n is not clear in the tutorial

thanks in advance for your help

Stéphane Abel, PhD
91191 Saclay, FRANCE


The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
Received on Sun Dec 14 2008 - 01:10:50 PST
Custom Search