Hi Amber community,
I want to do some nmode calculations on my protein-ligand-complex. For this purpose I only choose residues which are
within a 10A radius of the mass center of the ligand. How can I create an adequate prmtop-file? The mm_pbsa script in
Amber8 gave an error message when I used the prmtop-file for the whole complex.
Thanks for any comments!
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 Fri Jun 03 2005 - 18:53:00 PDT
