Dear David Case,
Since it was not me to install both Amber and AmberTools in the
cluster I am running on, is there any way to check which version I am using?
And in case I am using the not fixed version 1.4, how can I
patch it?
Many thanks in advance.
Regards,
2011/8/1 David A Case <case.biomaps.rutgers.edu>:
> On Mon, Aug 01, 2011, Massimiliano Porrini wrote:
>>
>> :~>tleap
>> >source leaprc.ff99SBildn
>> >set default PBradii mbondi2
>> >loadOff seh.lib
>> >peptide = loadPdb peptide.pdb
>>
>> $AMBERHOME/bin/tleap: line 8: 5540 Segmentation fault
>> $AMBERHOME/bin/teLeap -I$AMBERHOME/dat/leap/prep
>> -I$AMBERHOME/dat/leap/lib -I$AMBERHOME/dat/leap/parm
>> -I$AMBERHOME/dat/leap/cmd $*
>
> What version of tleap are you using? There were certainly some issues
> like this with version 1.4, but most were fixed either with using the 1.4
> bugfixes, or in version 1.5.
>
> If you are using the latest version, or a patched 1.4:
> Does it segfault if you leave out the loadOff step?
> Can you post the "peptide.pdb" file? Otherwise we can't reproduce the
> problem.
>
> ....dac
>
>
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>
--
Dr Massimiliano Porrini
Institute for Condensed Matter and Complex Systems
School of Physics & Astronomy
The University of Edinburgh
James Clerk Maxwell Building
The King's Buildings
Mayfield Road
Edinburgh EH9 3JZ
Tel +44-(0)131-650-5229
E-mails : M.Porrini.ed.ac.uk
mozz76.gmail.com
maxp.iesl.forth.gr
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Received on Mon Aug 01 2011 - 10:30:03 PDT
