Re: [AMBER] sleap crash with single water molecule and amoeba

From: Alan <alanwilter.gmail.com>
Date: Tue, 16 Feb 2010 12:17:47 +0000

I still have the very first release of AT 1.3 compiled with intel on Mac
OSX 10.6.2 64 bits without any patch and I do see this problem.

Besides, I reported sometime ago this:
"sleap in AmberTools 1.3 is not working anymore for me"

http://archive.ambermd.org/200912/0410.html

http://archive.ambermd.org/200912/0417.html (Case's reply)

I would love to know if there's already a solution for that as in
http://ambermd.org/bugfixesat.html has no reference to this problem for AT
1.3.

Many thanks,

Alan

On Mon, Feb 15, 2010 at 21:14, case <case.biomaps.rutgers.edu> wrote:

> On Mon, Feb 08, 2010, Neil Henson wrote:
> > With AmberTools 1.3 compiled with gcc/gfortran/g++ 4.4.2 .
> >
> > $ cat water.pdb
> > ATOM 1 O WAT 1 8.447 18.490 21.686 1.00 0.00
> > ATOM 2 H1 WAT 1 8.923 18.731 20.892 1.00 0.00
> > ATOM 3 H2 WAT 1 9.105 18.526 22.380 1.00 0.00
> >
> > $ sleap
> > [gtkleap]$ source leaprc.amoeba
> > [gtkleap]$ loadoff amoeba_wat.off
> > [gtkleap]$ z=loadpdb water.pdb
> > [gtkleap]$ saveamoebaparm z z.top z.xyz
> > Program received signal SIGSEGV, Segmentation fault.
>
> Works OK for me using gcc 4.4.0 on MacOSX 10.5. I have an updated source
> code, however. It would be great if someone else with a "raw" 1.3 files
> could indicate whether or not they also see the error.
>
> ....dac
>
>
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>



-- 
Alan Wilter Sousa da Silva, D.Sc.
PDBe group, PiMS project http://www.pims-lims.org/
EMBL - EBI, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD, UK
+44 (0)1223 492 583 (office)
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Received on Tue Feb 16 2010 - 04:30:02 PST
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