Great thanks to David!
gcc 3 solved the problem.
Best regards,
Ting
David A. Case wrote:
> On Mon, Jun 21, 2004, Ting Wang wrote:
> >
> > I was trying to solvate my protein in xleap: solvateOct mol TIP3PBOX
> > 12.0, I got more than 10K water molecules, the density > 3 g/cc, and the
> > protein is not fully covered by water. But when I used amber7:
> > solvateOct mol WATBOX216 12.0, I got 4391 wat and a density of 0.870
> > g/cc and the protein is fully covered by wat.
> >
> > The machine/OS details :
> >
> > compilation: intel compilers on Intel(R) Xeon(TM) CPU 2.40GHz,Linux
> > version 2.4.24 (gcc version 2.95.4 20011002 (Debian prerelease))
> >
> > Running: 1. the same machine as compilation.
> > 2. AMD Athlon(tm) Processor 1.4GHz.Linux version 2.4.20 (gcc
> > version 2.95.4 20011002 (Debian prerelease))
> >
>
> There have been several reports of this sort of behavior, but as far as I
> know, no one who was willing to debug it has ever been able to reproduce
> it.
> (I could not get anything like this to happen on my machines.)
>
> It would be good to have the exact commands and protein structure you used,
> since no one has ever posted a complete test case. But it may be that
> someone
> will also have to dig up a machine with gcc 2.95.4 installed to see if
> this is
> compiler-specific. Of course, if you have access to a machine with some
> version of gcc 3, that would be the easiest course to check out such an
> idea.
>
> ...regards...dac
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--
Dr. Ting Wang
Molecular & Cellular Modelling
EML Research gGmbH
Villa Bosch
Schloss-Wolfsbrunnenweg 31c
69118 Heidelberg
Germany
Tel: +49 6221 533 262
Fax: +49 6221 533 298
Email: ting.wang.eml-r.villa-bosch.de
Web: http://www.embl-heidelberg.de/~twang
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Received on Tue Jul 13 2004 - 13:53:01 PDT
