AMBER Archive (2006)

Subject: AMBER: about the decomposition energies using mm/pbsa

From: litong (tong.li_at_rega.kuleuven.be)
Date: Thu Apr 20 2006 - 08:34:11 CDT

Dear,
  We can decompose energies into residues contributions from groups in
MM-PBSA . I wonder if the ligand must be peptide or protein because the
software needs to know which atoms belong to backbone and which belong
to sidechain? The protein-protein complex Ras-Raf is studied in the
reference article from Holger Gohlke. Are there some examples about
nonpeptide-protein complex?
 
 
Thanks in advance.
 
 
Tong

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