Re: amber-developers: Re: Fwd: AMBER: GBSA SA calculation

From: Daniel Roe <>
Date: Wed, 14 May 2008 16:01:19 -0400

Sorry, I didn't realize some versions of patch would balk at creating
a new file - my version (2.5.4) didn't have this issue.

If no one can find out how to make patch create new files, maybe we
could encapsulate the patch in a runscript that will create the file
in question before patching?


On Wed, May 14, 2008 at 3:11 PM, David A. Case <> wrote:
> On Tue, May 13, 2008, Carlos Simmerling wrote:
> > patches are attached- let me know if I should so something else with them,
> > and it would be great if you could have someone double check the test
> > cases passing.
> I'll look at these.
> The problem I have is that when I execute "patch -p0 -N < amber10.bugfix.4"
> the patch chokes on test/trajene/ This is a new file, and
> patch (at least my version) doesn't want to create a new file from nothing.
> Does anyone on the list know the proper way to create a patch file that
> creates a new file that didn't exist before? I don't see any arguments to
> patch itself that helps. I can workaround this by doing
> touch test/trajene/mdcrd.outlsave
> before the patch (creating a dummy file to be updated), but this can't be the
> correct general solution.
> ..thanks!...dave

Daniel R. Roe, Ph.D.
Research Chemist
National Institute of Standards and Technology
100 Bureau Drive, Stop 8443
Gaithersburg, MD 20899-8443
(301) 975-8741
Received on Sun May 18 2008 - 06:07:13 PDT
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