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