From: Nathan B. <ba...@bi...> - 2004-10-13 20:30:06
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That's an improvement. :) -- Nathan A. Baker, Assistant Professor Washington University in St. Louis School of Medicine Dept. of Biochemistry and Molecular Biophysics Center for Computational Biology 700 S. Euclid Ave., Campus Box 8036, St. Louis, MO 63110 Phone: (314) 362-2040, Fax: (314) 362-0234 URL: http://www.biochem.wustl.edu/~baker > -----Original Message----- > From: apb...@ch... > [mailto:apb...@ch...] On Behalf Of Mark > Engelhardt > Sent: Wednesday, October 13, 2004 1:28 PM > To: ba...@bi... > Cc: apb...@ch... > Subject: Re: [Apbs-users] output question > > Hi - > > They do not seem to be wildly inaccurate at least. :) I'm > going to have to come up with a more quantitative answer to > that question I think. > > - Mark > > On Oct 13, 2004, at 10:59 AM, Nathan Baker wrote: > > > Hi Mark -- > > > > You can have local convergence problems and still get the correct > > answer; this warning pops up during one of the iterations in the > > Newton cycle. > > Are > > your answers reasonable? > > > > Thanks, > > > > Nathan > > > > -- > > Nathan A. Baker, Assistant Professor > > Washington University in St. Louis School of Medicine Dept. of > > Biochemistry and Molecular Biophysics Center for > Computational Biology > > 700 S. Euclid Ave., Campus Box 8036, St. Louis, MO 63110 > > Phone: (314) 362-2040, Fax: (314) 362-0234 > > URL: http://www.biochem.wustl.edu/~baker > > > >> -----Original Message----- > >> From: apb...@ch... > >> [mailto:apb...@ch...] On Behalf Of Mark > >> Engelhardt > >> Sent: Wednesday, October 13, 2004 11:47 AM > >> To: apb...@ch... > >> Subject: Re: [Apbs-users] output question > >> > >> Yes, I am using the code from the CVS. The warning is > occurring with > >> a DNA helix, but not with a point charge in otherwise identical > >> conditions. > >> Thanks, > >> Mark > >> > >> On Oct 13, 2004, at 3:50 AM, Nathan Baker wrote: > >> > >>> Hi Mark -- > >>> > >>> It means some iterations of the Newton solver aren't > >> converging to the > >>> desired error tolerance. Are you getting this with the new > >> version of > >>> the code we just placed in CVS? > >>> > >>> Thanks, > >>> > >>> Nathan > >>> > >>> -- > >>> Nathan A. Baker, Assistant Professor Washington University in St. > >>> Louis School of Medicine Dept. of Biochemistry and Molecular > >>> Biophysics Center for > >> Computational Biology > >>> 700 S. Euclid Ave., Campus Box 8036, St. Louis, MO 63110 > >>> Phone: (314) 362-2040, Fax: (314) 362-0234 > >>> URL: http://www.biochem.wustl.edu/~baker > >>> > >>>> -----Original Message----- > >>>> From: apb...@ch... > >>>> [mailto:apb...@ch...] On Behalf Of Mark > >>>> Engelhardt > >>>> Sent: Wednesday, October 13, 2004 12:40 AM > >>>> To: apb...@ch... > >>>> Subject: [Apbs-users] output question > >>>> > >>>> Hi, > >>>> > >>>> What does the following line in the output mean? > >>>> > >>>> % MVCS: iters on coarse grid: 100 > >>>> > >>>> > >>>> Thanks, > >>>> Mark > >>>> > >>>> Pande group > >>>> Stanford University > >>>> > >>>> _______________________________________________ > >>>> apbs-users mailing list > >>>> apb...@ch... > >>>> http://cholla.wustl.edu/mailman/listinfo/apbs-users > >>>> > >>> > >>> > >> > >> _______________________________________________ > >> apbs-users mailing list > >> apb...@ch... > >> http://cholla.wustl.edu/mailman/listinfo/apbs-users > >> > > > > > > _______________________________________________ > > apbs-users mailing list > > apb...@ch... > > http://cholla.wustl.edu/mailman/listinfo/apbs-users > > > > _______________________________________________ > apbs-users mailing list > apb...@ch... > http://cholla.wustl.edu/mailman/listinfo/apbs-users > |