Emilia,
Unfortunately the parameters are assigned in the sander program, not by
Leap.
Best,
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
emilia wu
Sent: Monday, January 22, 2007 6:46 PM
To: amber.scripps.edu
Subject: Re: RE: RE: RE: AMBER: PB Bomb in pb_aaradi(): No radius assigned
for atom 4474 F3 f
Dear Ray,
thanks for all the help! it work when the GB option is turned off, but I
need the GB result
to do the decomosition, could you please tell me which file should be use to
add the parameters
for F atom?
emilia
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Received on Wed Jan 24 2007 - 06:07:41 PST
