AMBER Archive (2005)

Subject: AMBER: Nmode calculations

From: Martin Sippel (masi_at_nmr.mpibpc.mpg.de)
Date: Fri Jun 03 2005 - 12:17:48 CDT

('binary' encoding is not supported, stored as-is) Hi Community,

if I want to do Nmode calculations only on certain residues of my protein-ligand-complex, do I have to employ the ibelly-
option? Or should I generate snapshots which contain only the disered residues by using the RSTART RSTOP option in the
make_crd.hg plurally? I don't know if this is the sensible way.. How could I generate a prmtop-file only for these residues?

Thanks for any comments!

Regards,

Martin

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