Article View: comp.lang.fortran
Article #6497Monte Carlo Minimization Routine ???
From: Ryan D. Alexander
Date: Sun, 10 Oct 1999 00:00
Date: Sun, 10 Oct 1999 00:00
24 lines
2385 bytes
2385 bytes
In attempting to model chromosomes packed within a nucleus, I've decided that I need a type of Monte Carlo Minimization routine. Scouring the Web has turned up little in the way progress, so I've turned to you all in NG-Land... Essentially I'm looking for an algorithm (in Fortran 77/90, preferably) where I may enter a set of initial cartesian coordinates, the associated radii for each "chromosome," and an objective function (i.e. Lennard-Jones potential function). Let the program calculate the value of my objective function, Monte Carlo (smartly) to re-position the chromosomes, recalculate the potential, etc., etc. until the function value is minimized. Anyone's help (books, articles, URL's) would be greatly appreciated!! If anyone in the realm of molecular dynamics, or packing theory (of non-uniform shapes) have any ideas, I'd obviously welcome them as well. Thanks in advance... (oh & as this is probably not of general interest to these ng's please just e-mail me directly if you'd like) -- Ryan D. Alexander ========================================================= Ryan D. Alexander, CSU-LBNL NSCORT Ph.D. Trainee Colorado State Univ., Dept. of Radiological Health Sciences E-mail: ryanalex@lamar.colostate.edu Office Ph: 970-491-0520, Dept. Fax: 970-491-0623 =========================================================
Technical Details
Message-ID:
<3800F279.AD543BD3@lamar.colostate.edu>Path:
arc1-ca.pugleaf.net!unknown!not-for-mailShow Full Headers
Complete Article Headers
X-Google-Language: ENGLISH,ASCII-7-bit X-Google-Thread: 1060e8,8e1196bbba2c61a7,start X-Google-Attributes: gid1060e8,public X-Google-Thread: 10d632,8e1196bbba2c61a7,start X-Google-Attributes: gid10d632,public X-Google-Thread: 108717,8e1196bbba2c61a7,start X-Google-Attributes: gid108717,public X-Google-Thread: 109d8a,8e1196bbba2c61a7,start X-Google-Attributes: gid109d8a,public X-Google-Thread: 1094ba,8e1196bbba2c61a7,start X-Google-Attributes: gid1094ba,public X-Google-Thread: 106bde,8e1196bbba2c61a7,start X-Google-Attributes: gid106bde,public From: "Ryan D. Alexander" <ryanalex@lamar.colostate.edu> Subject: Monte Carlo Minimization Routine ??? Date: 1999/10/10 Message-ID: <3800F279.AD543BD3@lamar.colostate.edu> X-Deja-AN: 535116923 Content-Transfer-Encoding: 7bit Organization: CSU-LBNL NSCORT X-Accept-Language: en Content-Type: text/plain; charset=us-ascii Mime-Version: 1.0 Newsgroups: comp.lang.fortran,bionet.molec-model,comp.programming,sci.math,sci.stat.math,bionet.biophysics