ModelFree

ModelFree

A program for optimizing "Lipari-Szabo model free" parameters to heteronuclear relaxation data

Current version is 4.20

Modelfree4 is now available as compiled executables for Linux and Macintosh OSX operating systems. Separate executables are provided for Macintosh PowerPC and Intel CPUs. Separate linux exectuables are provided as compiled with the gnu gfortran compiler and the Portland Group Fortran compiler.

If you download ModelFree4 and decide to use it, then please email agp6@columbia.edu, so that we can add you to our users list. This way we can reach you with bug reports and updates. If you download the program, please check this site frequently for updates in case of bug fixes (and please send email regarding any bugs you think you find).

If you need access to source code or executables for other computer architectures, please contact Arthur G. Palmer (agp6@columbia.edu).

Version History

4.00 (04/15/98) Initial version

4.01 (07/15/99) Fixed errors in F-statistic distributions

4.10 (02/4/00) Fixed additional errors in chi² and F-statistic distributions, added uncertainties to CSA for error analysis, added the relaxation interference rate constant ratio as an optional relaxation parameter.

4.15 (04/10/02) Fixed errors due to type checking. Fixed flush-to-zero flag for SGI R12000 chip

4.16 (07/02/04 Type declarations fixed. Present version can be compiled by GNU g77

4.20 (11/12/06) Ended support for SGI platform. Only linux and mac OSX are supported platforms at present. Fixed termination criteria and simulated distribution of F-statistic error. A bug identified by Edward d'Auvergne that caused the minimization algorithm to terminate inappropriately after an unsuccessful optimization step has been fixed. A bug in the test for whether bounded parameters could be returned to the active set has been fixed. Changed grid search so the exact upper and lower bounds are not grid search points. Maximum number of residues was increased to 300.

view the Modelfree Manual

download ModelFree4 for Mac OSX.

download ModelFree4 for Linux OS.

Hierarchical links

Over to the Inertia and Diffusion Tensors page

Over to the CurveFit page

Over to the relax_scripts page

Palmer Group Home Page

Updated 9/05/06 by Arthur G. Palmer (agp6@columbia.edu)