Jitrayut,
This is correct. It is not very straight forward to decompose PB energy into
residue/group-based components as in GB.
Ray
==========================================
Ray Luo, Ph.D.
Dept Molecular Biology & Biochemistry
University of California, Irvine, CA 92697
USPS: PO Box 3900
Phone: (949) 824-9528
Email: rluo.uci.edu
Web: http://rayl0.bio.uci.edu/
==========================================
-----Original Message-----
From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf Of
jitrayut jitonnom
Sent: Monday, January 22, 2007 6:21 AM
To: amber.scripps.edu
Subject: AMBER: Can't run decompose energy in MM-PBSA
Dear amber users,
I can't run decompose energy in MM-PBSA. The last output shown this
errors. It's sound like MM-PBSA can't run decompose energy ?
=>> Checking sanity
Checking GENERAL
Energy decomp is not (yet) possible with GC, AS, NM, PB, MS
Any suggestions will nice,
Thanks
Jitrayut
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jan 24 2007 - 06:07:23 PST
