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

From: Scott Brozell <sbrozell.scripps.edu>
Date: Wed, 14 May 2008 14:01:20 -0700 (PDT)

Hi,

On Wed, 14 May 2008, 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/mdcrd.out.save. 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.

I have no problems doing that;

May 14 3:44:01pm opt-login01.osc.edu 1640$ ~/tmp rm p
May 14 3:44:03pm opt-login01.osc.edu 1641$ ~/tmp cat p
cat: p: No such file or directory
May 14 3:44:05pm opt-login01.osc.edu 1642$ ~/tmp patch -p0 -N < bugfix
patching file p
May 14 3:44:12pm opt-login01.osc.edu 1643$ ~/tmp cat bugfix
*** p 2008-05-14 15:41:02.000000000 -0400
--- p 2008-05-14 15:40:21.000000000 -0400
***************
*** 0 ****
--- 1,2 ----
+ runtests
+ reordered SINGLEPOINT tests because of transci.x errors
May 14 3:44:17pm opt-login01.osc.edu 1644$ ~/tmp cat p
runtests
 reordered SINGLEPOINT tests because of transci.x errors
May 14 3:45:30pm opt-login01.osc.edu 1645$ ~/tmp patch -v
patch 2.5.4
Copyright 1984-1988 Larry Wall
Copyright 1989-1999 Free Software Foundation, Inc.
...
Received on Sun May 18 2008 - 06:07:13 PDT
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