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

From: Ben Roberts <roberts.qtp.ufl.edu>
Date: Mon, 12 Jul 2010 16:06:56 -0400

Hi Dave,

On 12/7/2010, at 3:26 p.m., case wrote:

> 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?

I'm happy to give it a go myself; I'm somewhat familiar with git, using it for
some internal stuff here. I just haven't been brave enough to try pushing stuff
outside yet.

I'll consult the web page and see what that tells me, and be back shortly if I
have any questions.

Cheers,
Ben


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Received on Mon Jul 12 2010 - 13:30:06 PDT
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