Try the textbook: Algorithm 7 in "Understanding Molecular Simulation" by Daan Frenkel & Berend Smit
If you need a code that actually computes the rdf, I can probably find my old Fortran code. On Tue, Feb 26, 2008 at 4:21 AM, Axel Kohlmeyer <akohlmey at cmm.chem.upenn.edu> wrote: > 2008/2/26 Dongdong Kang <kddst2005 at yahoo.com.cn>: > > Dear all > > > > I know that the 'md' code can calculate the radial distribution > function, > > and I want to know how to calculate this function. But I can't find the > > source code which can calculate the 'rdf' function. Can anyone tell me > > which file include the source code ? > > there is an example of a RDF code only in about every > MD textbook on the market. ...and if that is not enough you > can do a short web search. off the top of my head i'd know > about 10 places (MD codes, MD tutorials) where one could > find one. so please look again. > > cheers, > axel. > > > > > > thanks > > > > Dongdong Kang > > National University of Defense Technology, P R China > > 410073, Hunan, Changsha > > > > ________________________________ > > ??????????????????? > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > > -- > ======================================================================= > Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu > Center for Molecular Modeling -- University of Pennsylvania > Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 > tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 > ======================================================================= > If you make something idiot-proof, the universe creates a better idiot. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -- Nichols A. Romero, Ph.D. DoD User Productivity Enhancement and Technology Transfer (PET) Group High Performance Technologies, Inc. Reston, VA 443-567-8328 (C) 410-278-2692 (O) -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20080228/7e6e5a7b/attachment-0001.htm
