[AMBER] Problems with AmberTools test suite

From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 20 Nov 2014 11:15:31 -0500

Amihai wrote:

> Date: Wed, 19 Nov 2014 14:21:25 +0200
> thank you for your reply,
> I guess I have the latest AmberTools since I downloaded it at the same
> I downloaded Amber14,
> from the same place. The filename is AmberTools14.tar.bz2
> Amihai Silverman
> Computing and Information Systems Division, Technion.
> --
> On 11/19/2014 02:08 PM, David A Case wrote:
> On Wed, Nov 19, 2014, ROOPALI VERMA wrote:
> mostly the errors are in the *.diff files of the sander_pbsa module
> ...like sander_pbsa_
> delphi2 ,*sander_pbsa_radi ,*
> *sander_pbsa_frc/dbf_1/polyALA and so on.*
> I have attached the necessary files, please have a look on it.
> I shall be thankful for any suggestion or comments in this regard.
> Which version of AmberTools are you using? Are you sure all the updates
> been applied?
> FWIW, these problems look innocuous.
> ...dac

It looks like two separate email threads have been combined into one. The
original one (From ROOPALI VERMA) dealt with PBSA errors arising in an
amber12 installation. (My best guess there: install AmberTools13 on top
of your AmberTools12, i.e. in the amber12 directory, apply updates, and try
again. Better, update to AmberTools14 if you can.)

A second thread (from Amihai) has to do with problems arising in amber14.
Unfortunately, I've lost track of what the original problem was.

I'm not sure how this happened. Please don't reply to an existing message if
it is not on the same subject (if that is indeed what happened.)


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Received on Thu Nov 20 2014 - 08:30:03 PST
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