Re: prmtop file question.

From: David A. Case <case_at_scripps.edu>
Date: Wed 17 Jul 2002 17:08:28 -0700

On Wed, Jul 17, 2002, Carlos Andres Ramirez-Mondragon wrote:
>
> I have a question regarding a 'BLA' character that appears in the FLAG
> TREE_CHAIN_CLASSIFICATION section of my prmtop file.

Basically, nothing in Amber ever makes use of the tree classification, and the
whole idea of having it in the prmtop file has only historical interest. This
is the reason that the problem has never been fixed. ("BLA" is intended to be
just a placeholder).

It is possible that other programs that read prmtop files expect the tree
classification to be there and to be correct. So it would be nice to fix
this, but it's been pretty low on our list of priorities.

Bottom line: it *is* a bug, but a harmless one inside the Amber suite
of programs. My guess is that it is unlikely to be fixed anytime soon,
unless someone volunteers...

..regards....dac


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David A. Case                     |  e-mail:      case_at_scripps.edu
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Received on Wed Jul 17 2002 - 17:08:28 PDT
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