AMBER Archive (2006)
Subject: Re: AMBER: mm_pbsa calculation allocation error
From: Ray Luo (rluo_at_uci.edu)
> Number of triangulated 3-point waters found: 0
>The second question is that whether I should worry about the "Number of triangulated 3-point waters found: 0" output in the third part, since I used an explicit solvent system during the simulation.
>The last question is that, altough I solvated my system in a water box the .prmtop file does not contain any box info. Should I include the box info into the .prmtop file for the calculations, if yes how?
-- ==================================================== 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/ ====================================================