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

From: David A. Case <>
Date: Wed, 14 May 2008 12:11:46 -0700

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.

Received on Sun May 18 2008 - 06:07:12 PDT
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