[AMBER] Problem in deriving RESP charges with RED-3.52 tools

From: Sajeewa Pemasinghe <sajeewasp.gmail.com>
Date: Sun, 13 Oct 2013 02:12:39 -0400

Hi,

This is the first time I am using RED tools. I am following the tutorial.

I ran the Ante_RED-1.5.pl on my pdb and got the corresponding p2n file.

I then ran the optimization in gaussian using the gaussian input file
generated by Ante_RED-1.5.pl. I renamed the p2n file as Mol_red1.p2n and
the gaussian log file as Mol_red1.log and ran the RED-v3.5.pl.

I get the message

'uname' is not recognized as an internal or external command,
operable program or batch file.

                        * Operating system *


                ERROR: DO NOT RUN THIS SCRIPT AS ROOT !

I cannot figure out what has gone wrong. Perl is in my path and the RED
tools folder is in the path. Could anyone please help me out? I have
attached my p2n and log files.

Thank you very much

Sajeewa Dewage


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Received on Sat Oct 12 2013 - 23:30:03 PDT
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