Re: [AMBER-Developers] Current state of CVS tree. (Intel Compilers)

From: Scott Brozell <>
Date: Thu, 4 Mar 2010 16:34:53 -0500


On Thu, Mar 04, 2010 at 01:22:40PM -0800, Ross Walker wrote:
> >I'm not sure why this
> >happened in the first place or what the best way to correct this in the
> >Makefile/configure script is, but its a recent development.
> Changing ptraj back to being pure C would avoid a lot of these complexities.

Rewriting ptraj in C++ would avoid a lot bugs and reduce its
complexity because C++ is a better C (memory allocation and vectors)
and some parts of ptraj are trying to be C++ (cluster code).

A couple of decades ago my consulting fee for this advice would be
more than a few months of my current salary.


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Received on Thu Mar 04 2010 - 14:00:03 PST
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