Dear all,
using nmode in amber8, I want to do some entropy calculations on a protein-ligand-complex. The system is pretty large,
hence I employ the ibelly-option to fix the major part of my protein, but even with only two residues allowed to move, nmode
still gives the "segmentation fault" error message, nothing else. I have 2 gigs of memory, so that should be no problem.
Calculations only for the 80-atom-ligand work well, so I don't see the reason why calculations for only two residues of my
complex shouldn't work?!
Can anyone help me, please?
Regards,
Martin
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Martin Sippel
Max-Planck-Institute for Biophysical Chemistry
NMR-based Structure Biology, Office 5
Am Fassberg 11
37077 Göttingen
Germany
Tel.: +49 551 201 2215
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Received on Mon Jun 06 2005 - 10:53:00 PDT
