Re: [AMBER] Fwd: RED-III.52-Tools stopped to work suddenly.

From: Zeinab Emami <zemami.ku.edu.tr>
Date: Wed, 17 Dec 2014 12:45:59 +0200

Dear Francois,

Thank you for your informative email. You are right; I re-downloaded the
software and this problem was solved in the new package.

Best Regards,
Zeinab

On Tue, Dec 16, 2014 at 8:15 PM, FyD <fyd.q4md-forcefieldtools.org> wrote:
>
> Dear Zeinab,
>
> > For derivation of RESP & ESP charges, I followed the tutorials of the RED
> > website and the "how to" document found in the directory of the
> > RED-III.52-Tools-Files software. Everything was going on well, though
> today
> > when I got to step 3 [in how to document], I noticed that the files are
> > broken [in this case RED-vIII.5.pl did not work] [Error texts: Can't
> open
> > perl script "RED-vIII.5.pl": No such file or directory]. Also I noticed
> > that all my files including the p2n file are broken as well. In order to
> > fix this, I re-installed the software RED-III.52-Tools and got the
> > RED-vIII.5.pl file from the new package; and unfortunately the problem
> > resisted.
>
> cd RED-III.52-Tools-Files
> lynx:~/RED-III.52-Tools-Files> ll
> -rw------- 1 user user 27025 nov. 25 2012 Ante_RED-1.5.pl
> drwx------ 2 user user 4096 nov. 25 2012 Doc
> -rw------- 1 user user 34621 nov. 25 2012
> GNU_General-Public-License.txt
> drwx------ 11 user user 4096 nov. 25 2012 HowTo
> -rw------- 1 user user 7001 nov. 25 2012 README.1st
> -rw------- 1 user user 521 nov. 25 2012 RED.cfg
> lrwxrwxrwx 1 user user 14 nov. 25 2012 RED-vIII.5.pl ->
> RED-vIII.52.pl
> -rw------- 1 user user 315856 nov. 25 2012 RED-vIII.52.pl
> drwx------ 2 user user 4096 nov. 25 2012 Scripts
> -rw------- 1 user user 13854 nov. 25 2012 XRED-III.52.tcl
> drwx------ 2 user user 4096 nov. 25 2012 resp-2.2
>
> as you can see there is symbolic link RED-vIII.5.pl -> RED-vIII.52.pl:
> I wonder if RED-vIII.52.pl was not removed by accident...
>
> just download again the RED tools at
> http://q4md-forcefieldtools.org/RED/ or use PyRED at R.E.D. Server
> Dev. http://q4md-forcefieldtools.org/REDServer-Development/
>
> regards, Francois
>
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Dec 17 2014 - 03:00:02 PST
Custom Search