Re: [AMBER-Developers] sqm and AmberTools 1.5

From: Jason Swails <jason.swails.gmail.com>
Date: Thu, 10 Mar 2011 14:50:06 -0800

On Thu, Mar 10, 2011 at 2:44 PM, David Case <dacase.rci.rutgers.edu> wrote:

> On Mar 10, 2011, at 4:35 PM, Jason Swails <jason.swails.gmail.com> wrote:
>
> > Basically, sqm 1.4 knows nothing about the changes that have been done to
> > configure and how config.h is now set up differently, so the make fails
> > immediately with a mountain of errors.
>
> Instead of writing an "old-style" config.h, why not just teach sqm in 1.5
> to read the current config.h? It is not necessary that there be no changes,
> just that it will still work with sander from amber11. Is there some
> logical information (neede by sqm) that is no longer included in the new
> config.h file?
>

I could work on that and check back. Should I go ahead and replace the sqm
directory in at15-with-patches with the sqm directory from
amber11-with-patches? Should I go ahead and do that and get the rest of it
working?

All the best,
Jason


> ....dave
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>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Mar 10 2011 - 15:00:03 PST
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