From: Robert H. <ha...@st...> - 2013-09-24 03:19:14
|
minimization has a maximum of 100 atoms. It's not going to work with DNA. Sorry.... On Mon, Sep 23, 2013 at 3:04 PM, Spinney, Richard < rsp...@ch...> wrote: > ** ** > > I am trying to minimize a small DNA fragment from a PDB file, but minimize > does not work. There are no error messages and the “computation” link in > the menu is grayed out. I have missed something in the loading the file > (i.e. a required set command) or does minimize not work on PDB files? I am > working in 13.0.4 and have tested in 13.2.4 with the same results. Any help > would be appreciated.**** > > ** ** > > Rick**** > > --------------------------------------**** > > Dr. Richard Spinney**** > > Department of Chemistry and Biochemistry**** > > The Ohio State University**** > > 120A Celeste Laboratory**** > > 120 West 18th Ave**** > > Columbus, Ohio 43210**** > > **** > > email: rsp...@ch...**** > > **** > > Phone: (614) 247 - 6847**** > > Fax: (614) 292 - 1685**** > > ** ** > > > ------------------------------------------------------------------------------ > October Webinars: Code for Performance > Free Intel webinars can help you accelerate application performance. > Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most > from > the latest Intel processors and coprocessors. See abstracts and register > > http://pubads.g.doubleclick.net/gampad/clk?id=60133471&iu=/4140/ostg.clktrk > _______________________________________________ > Jmol-users mailing list > Jmo...@li... > https://lists.sourceforge.net/lists/listinfo/jmol-users > > -- Robert M. Hanson Larson-Anderson Professor of Chemistry St. Olaf College Northfield, MN http://www.stolaf.edu/people/hansonr If nature does not answer first what we want, it is better to take what answer we get. -- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900 |