Re: [AMBER-Developers] Patches for sander.PUPIL

From: case <case.biomaps.rutgers.edu>
Date: Mon, 12 Jul 2010 15:26:10 -0400

On Mon, Jul 12, 2010, Ben Roberts wrote:
>
> I've attached a couple of patches for Amber 11
> src/sander/makedepend and src/sander/mdread.f respectively, which are
> designed to stop the user from inadvertently running a PUPIL calculation
> with implicit solvent (since that causes hideous crashes or bogus
> results). Let me know if there are any problems with them.
>
> While this is the best way I know of to submit patches in, for my own
> reference, is there another, preferred way?

You should get up to speed on git, if you don't already know it:

    http://ambermd.org/pmwiki/pmwiki.php/Main/Coding

You have commit (push) access to both the master and amber11 branches of
the amber repository, and to the web site. So, you should update the
master branch (since this is an improvement), and the amber11 branch (since
these changes are to posted a bugfixes.). Then you can update the website,
which requires understanding how that works (e.g. you have to modify
bugfix.all, as well as add in the individual bugfixes.)

Do you want me to do this for the two patches you sent, or would you like
to try it yoursef?

.....dave


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Received on Mon Jul 12 2010 - 12:30:04 PDT
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