oneminimum: Creates one ad hoc free energy minimum for a fes object...
In metadynminer: Tools to Read, Analyze and Visualize Metadynamics HILLS Files from 'Plumed'
View source: R/minimaandpaths.R
oneminimum R Documentation
Creates one ad hoc free energy minimum for a fes object (generic function
for 'metadynminer' and 'metadynminer3d')
Description
'oneminimum' creates an ad hoc free energy minimum on free energy surface.
This can be used to calculate free energy surface evolution at arbitrary
point of free energy surface.
Usage
oneminimum(inputfes, cv1, cv2, cv3)
Arguments
inputfes
fes object.
cv1
the value of collective variable 1.
cv2
the value of collective variable 2.
cv3
the value of collective variable 3.
Value
minima object.
metadynminer documentation built on April 14, 2022, 5:06 p.m.
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View source: R/minimaandpaths.R
| oneminimum | R Documentation |
Creates one ad hoc free energy minimum for a fes object (generic function for 'metadynminer' and 'metadynminer3d')
Description
'oneminimum' creates an ad hoc free energy minimum on free energy surface. This can be used to calculate free energy surface evolution at arbitrary point of free energy surface.
Usage
oneminimum(inputfes, cv1, cv2, cv3)
Arguments
inputfes |
fes object. |
cv1 |
the value of collective variable 1. |
cv2 |
the value of collective variable 2. |
cv3 |
the value of collective variable 3. |
Value
minima object.
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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