feprof: Calculate free energy profile for minima object (generic...
In metadynminer: Tools to Read, Analyze and Visualize Metadynamics HILLS Files from 'Plumed'
View source: R/minimaandpaths.R
feprof R Documentation
Calculate free energy profile for minima object (generic function for 'metadynminer'
and 'metadynminer3d')
Description
'feprof' calculates free energy profiles for free energy minima. It finds the global minimum
at the 'imax' and calculates the evolution of free energies of a local vs. the global free energy
minimum. The free energy of the global minimum is constant (zero).
Usage
feprof(minims, imax)
Arguments
minims
minima object.
imax
index of a hill from which summation stops (default the rest of hills).
metadynminer documentation built on April 14, 2022, 5:06 p.m.
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View source: R/minimaandpaths.R
| feprof | R Documentation |
Calculate free energy profile for minima object (generic function for 'metadynminer' and 'metadynminer3d')
Description
'feprof' calculates free energy profiles for free energy minima. It finds the global minimum at the 'imax' and calculates the evolution of free energies of a local vs. the global free energy minimum. The free energy of the global minimum is constant (zero).
Usage
feprof(minims, imax)
Arguments
minims |
minima object. |
imax |
index of a hill from which summation stops (default the rest of hills). |
R Package Documentation
Browse R Packages
We want your feedback!
Note that we can't provide technical support on individual packages. You should contact the package authors for that.
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