Dear Sajeewa Pemasinghe,
> 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.
See
http://q4md-forcefieldtools.org/REDS/news.php#2
to compare Ante_R.E.D. 2.0 vs Ante_R.E.D. 1.x
> 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.
this is correct; this means you use
$OPT_Calc = "Off" & $MEPCHR_Calc = "On"
you could also use $OPT_Calc = "On" & $MEPCHR_Calc = "On" and provide
only the P2n file(s) as input(s)
see
http://q4md-forcefieldtools.org/Tutorial/Tutorial-1.php#7
> I get the message
>
> 'uname' is not recognized as an internal or external command,
> operable program or batch file.
there is something wrong... Which operating system do you use?
> * Operating system *
>
> ERROR: DO NOT RUN THIS SCRIPT AS ROOT !
You can find in the source code:
if($<==0){
print "\n\t\tERROR: DO NOT RUN THIS SCRIPT AS ROOT !\n\n"; $check=0;
Information();
if($XRED eq "ON"){ print "\t\tPress Enter to exit.\n\n"; <STDIN>; } exit(0);
}
> 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.
R.E.D. is blocked if you run it as superuser or 'root'. In general you
should never run a program as the superuser. Better creating a regular
login and use R.E.D. in this login... If you do want to use R.E.D. as
root just comment the lines 66 - 69 (RED III.52) in the source code
(lines repoted above).
regards, Francois
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Received on Sun Oct 13 2013 - 01:00:02 PDT
