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

From: MengJuei Hsieh <mengjueh.uci.edu>
Date: Mon, 30 Nov 2009 13:54:15 -0800

Hi,

Enclosed with my operating log. After reading the line 142 of dacdif, I
realized that my $AMBERHOME indeed would mess with the logic of dacdif.
Adding -e '\.dat/leap/.d' \ helps to pass the test.

Note that I used "dat/leap/" instead of "/dat/leap/".

Best,
-- 
Mengjuei Hsieh, Molecular Biology & Biochem, Univ. of California Irvine.
> From: case <case.biomaps.rutgers.edu>
> Reply-To: AMBER Developers Mailing List <amber-developers.ambermd.org>
> Date: Mon, 30 Nov 2009 16:04:42 -0500
> To: AMBER Developers Mailing List <amber-developers.ambermd.org>
> Subject: Re: [AMBER-Developers] Test case antechamber/sustiva in at1.3
> 
> On Mon, Nov 30, 2009, MengJuei Hsieh wrote:
> 
>> diffing leap.out.save with leap.out
>> possible FAILURE:  check leap.out.dif
> 
> Can you post what is *in* leap.out.dif?  For me, things work fine, but I
> suspect that your $AMBERHOME variable is not being matched by line 142
> of dacdif.  Try changing line 142 in dacdif to this:
> 
>       -e '\./dat/leap/.d' \
> 
> (Also, please post the result of "echo $AMBERHOME", so that we can try to
> make the best fix to dacdif.)
> 
>> ==============================================================
>> 
>> and this
>> 
>> diffing 1ubqH.pdb.save with 1ubqH.pdb
>> possible FAILURE:  check 1ubqH.pdb.dif
> 
> I've removed the reduce test from (future) tests, since this is not really
> telling us anything of much importance (and we are probably not going to fix
> this problem in reduce, which is not our code....)
> 
> ....thx...dac
> 
> 
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers



_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers




Received on Mon Nov 30 2009 - 14:00:03 PST
Custom Search