Re: [AMBER-Developers] 28 Mar release candidates for Amber11/AmberTools-1.4

From: case <>
Date: Wed, 31 Mar 2010 07:37:20 -0400

On Wed, Mar 31, 2010, Daniel Roe wrote:
> Just out of curiosity what was wrong with the dacdif lines? The neb tests
> are working fine for me (see below).

The dacdif script is rather primitive (does not use getopts, etc.). So it
wants the "-a" option to precede the file name arguments. I think in your
case, it must actually be ignoring the "-a" option, but your output matches
the inputs anyway(?). In any event, it is certainly safer to put the "-a"
option before the filenames; I'd have to put a lot of print statements into
the script to figure what is really going on with the versions you had.

[I may be wrong here...we'll see if my "fix" cures the problem that was


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Received on Wed Mar 31 2010 - 05:00:03 PDT
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