UWHAM: Unbinned weighted histogram analysis method (UWHAM)

A method for estimating log-normalizing constants (or free energies) and expectations from multiple distributions (such as multiple generalized ensembles).

Author
Zhiqiang Tan and Emilio Gallicchio
Date of publication
2013-01-26 08:33:24
Maintainer
Zhiqiang Tan <ztan@stat.rutgers.edu>
License
GPL (>= 2)
Version
1.0
URLs

View on CRAN

Man pages

cyclooctanol
A simulated tempering dataset of interaction parameters and...
histw
Weighted histogram
insert
Inserting a value into a vector
ligand2.hard
A dataset of binding energies obtained with a conventional...
ligand2.soft
A dataset of binding energies with a soft-core interaction...
obj.fcn
The objective function for UWHAM
uwham
Unbinned weighted histogram analysis method (UWHAM) for...
uwham.boot
Variance estimation for UWHAM based on block bootstrap
UWHAM-package
A R package for the unbinned weighted histogram analysis...
uwham.phi
Unbinned weighted histogram analysis method (UWHAM) for...

Files in this package

UWHAM
UWHAM/MD5
UWHAM/man
UWHAM/man/insert.Rd
UWHAM/man/UWHAM-package.Rd
UWHAM/man/cyclooctanol.Rd
UWHAM/man/uwham.phi.Rd
UWHAM/man/uwham.Rd
UWHAM/man/ligand2.soft.Rd
UWHAM/man/ligand2.hard.Rd
UWHAM/man/uwham.boot.Rd
UWHAM/man/histw.Rd
UWHAM/man/obj.fcn.Rd
UWHAM/NAMESPACE
UWHAM/DESCRIPTION
UWHAM/R
UWHAM/R/UWHAM-code.R
UWHAM/data
UWHAM/data/cyclooctanol.rda
UWHAM/data/ligand2.hard.rda
UWHAM/data/ligand2.soft.rda
UWHAM/inst
UWHAM/inst/CITATION