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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Received on Mon Aug 01 2011 - 10:00:03 PDT
