Dear Malachi,
I forward the answer to the amber mailing list...
regards, Francois
----- Forwarded message from fyd.q4md-forcefieldtools.org -----
Date: Wed, 09 Jul 2014 17:48:47 +0200
From: FyD <fyd.q4md-forcefieldtools.org>
Reply-To: q4md-fft.q4md-forcefieldtools.org, FyD
<fyd.q4md-forcefieldtools.org>
Subject: Re: [q4md-fft] Issues Running, missing Ante_RED 2
To: q4md-fft.q4md-forcefieldtools.org, Malachi Phillips
<mphillipscompositions.gmail.com>
Dear Malachi,
> After some lengthy work of setting up my computer to run Ubuntu
> 14.04 on a virtual box virtual machine on my mac, I attempted to
> install AmberTools14, GAMESS (built with gfortran 4.6), as well as
> R.E.D. (or Resp Esp).
>
> I first started by running perl Ante_RED-1.5.pl pdb.pdb on ethanol
> (a very small test system to test the software), and created a .p2n
> file that seemed reasonable.
>
> HOWEVER, I notice that desire my installing the most recent version
> of RED (III.52), I nevertheless do not have the Ante Red 2.0 script
> to run with. Perhaps this is the issue? I cannot find the file, so
> if you could email me the file that would suffice.
Ante_R.E.D. 1.x and RED-III.x are available for download at
http://q4md-forcefieldtools.org/RED/
Ante_RED 2.0 and R.E.D. IV are only available at
http://q4md-forcefieldtools.org/REDServer/.
However, all these tools are now outdated and R.E.D. Server Dev./PyRED
does replace Ante_RED 2.0 AND R.E.D. IV:
See
http://q4md-forcefieldtools.org/REDServer-Development/
http://q4md-forcefieldtools.org/REDServer-Development/Documentation
http://q4md-forcefieldtools.org/REDServer-Development/news.php
> Anyways, whenever running the command
> perl RED-vIII.5.pl > test.log &
>
> The job immediately finishes. Upon looking at the test.log file I
> see an error code that the optimization output could not be found.
> Here is the text from it:
>
> ---------------------------
> * Welcome to R.E.D. III.52 *
> RESP ESP charge Derive
> http://q4md-forcefieldtools.org/RED/
>
> CHARGE TYPE = RESP-A1
|...]
>
> ERROR: The optimization OUTPUT can not be found
See
http://q4md-forcefieldtools.org/RED/HowTo-III.5.pdf
see "- Mode 2" page 3.
regards, Francois
----- End forwarded message -----
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Received on Thu Jul 10 2014 - 03:00:02 PDT
