AMBER: protein-rna interaction & mmpbsa

From: Antonio Morreale <amorreale.cbm.uam.es>
Date: Thu, 26 Apr 2007 10:28:19 +0200

Dear members,

I am trying to obtain the interaction energy between a protein and rna
strand using mm_pbsa.pl script. Once that the trajectory has been
performed, the output from mm_pbsa.pl script showed no cancelation of
the internal energy. I have been doing many calculations for
protein-ligand interaction without this problem. Also, the ras-raf
example shows a cancelation of this term. Any hint on this?

Thanks in advance.
Antonio 
-- 
Antonio Morreale
Unidad de Bioinformática
Centro de Biologia Molecular "Severo Ochoa"
Universidad Autonoma de Madrid
Cantoblanco, 28049 Madrid (Spain)
Phone: (34) 91-497-2377
Fax:   (34) 91-397-4799
e-mail: amorreale.cbm.uam.es
web: http://ub.cbm.uam.es/
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Received on Sun Apr 29 2007 - 06:07:18 PDT
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