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.pl > 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 RED-vIII.pl and p2n is not clear in the tutorial
thanks in advance for your help
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Stéphane Abel, PhD
CEA Saclay DSV/IBITEC-S/SB2SM
91191 Saclay, FRANCE
website: http://www.st-abel.com
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Received on Sun Dec 14 2008 - 01:10:50 PST
