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AMBER Archive (2005)Subject: Re: AMBER: Mg2+ issues of using MM-PB/GBSA
From: Ray Luo (rluo_at_uci.edu)
> Sorry! I forgot to mention that for PB calculation, I used readiopt =
Yes, you did it wrong. I suggest that you just use radiopt=0, i.e. use
Best,
-- ==================================================== Ray Luo, Ph.D. Department of Molecular Biology and Biochemistry University of California, Irvine, CA 92697-3900 Office: (949)824-9528 Lab: (949)824-9562 Fax: (949)824-8551 e-mail: rluo_at_uci.edu Home page: http://rayl0.bio.uci.edu/rayl/ ====================================================
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