Re: [AMBER-Developers] Test case antechamber/sustiva in at1.3

From: MengJuei Hsieh <mengjueh.uci.edu>
Date: Mon, 30 Nov 2009 12:03:47 -0800

Hi,

No, I did not see the PASS output, here are some parts of the output:

diffing sustiva.mol2.save with sustiva.mol2
PASSED
==============================================================
diffing frcmod.save with frcmod
PASSED
==============================================================
diffing leap.out.save with leap.out
possible FAILURE: check leap.out.dif
==============================================================

and this

diffing 1ubqH.pdb.save with 1ubqH.pdb
possible FAILURE: check 1ubqH.pdb.dif
==============================================================
diffing messages.save with messages
possible FAILURE: check messages.dif
==============================================================

PS. I haven't figured out why 1ubqH.pdb fails...

Best,
-- 
Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine.
> From: case <case.biomaps.rutgers.edu>
> Date: Mon, 30 Nov 2009 07:59:13 -0500
> On Mon, Nov 30, 2009, MengJuei Hsieh wrote:
>> The saved output format in antechamber/sustiva/leap.out.save is now
>> different from testing output. The testing output now contains $AMBERHOME in
>> the file.
> This is true, but dacdif ignores such lines (see line 102 of
> amber11/test/dacdif).  Do you not see a "PASS" output for this test case?
> ...dac



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Received on Mon Nov 30 2009 - 12:30:03 PST
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