AMBER Archive (2005)

Subject: Re: AMBER: MM_PBSA help, please

From: Scott Pendley (scott.pendley_at_gmail.com)
Date: Tue Jul 12 2005 - 16:57:08 CDT

Yes, exactly.

On 7/12/05, opitz_at_che.udel.edu <opitz_at_che.udel.edu> wrote:
> Sorry, another basic question. Once I have implemented the bugfix, I have
> to recompile the program again? So in this case, I have to recompile sander?
>
> Best Regards,
>
> Armin
>
> ==============Original message text===============
> On Tue, 12 Jul 2005 12:34:56 EDT "David A. Case" wrote:
>
> On Tue, Jul 12, 2005, opitz_at_che.udel.edu wrote:
>
> > Ok, so looking at the statement below from the bugfix page:
> > "Alternatively, if the Unix patch(1) program is available, the diff for
> > each file can be put in its own file (patchfile) and patch run as follows"
> >
> > I made the attached file (take the modified file and put them in a file
> > called patchfile). Would this file be correct to run as the patchfile?
> > How does the program know where to put the corrections?
>
> It doesn't. Don't edit the file you download from the web site. Just feed
> it to "patch" as is: it will ignore anything it doesn't need.
>
> For such a tiny patch as you are considering, doing it "by hand" (in a text
> editor) is certainly also a realstic approach. But in the long run, you will
> be well served by learning to use patch.
>
>
>
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