Man pages for metadynminer
Tools to Read, Analyze and Visualize Metadynamics HILLS Files from 'Plumed'

acealanmeHills from 30 ns metadynamics of AceAlaNme in water with two...
acealanme1dHills from 30 ns metadynamics of AceAlaNme in water with one...
feprofCalculate free energy profile for minima object (generic...
feprof.minimaCalculate free energy profile for minima object
fesCalculate free energy surface by Bias Sum algorithm (generic...
fes2Calculate free energy surface by conventional algorithm...
fes2d21dCalculate 1D free energy surface from hillsfile object
fes2.hillsfileCalculate free energy surface by conventional algorithm
fes.hillsfileCalculate free energy surface by Bias Sum algorithm
fesminimaFind free energy minima in the fes object (generic function...
fesminima.fesFind free energy minima in the fes object
head.hillsfilePrint first n lines of hillsfile
lines.fesPlots 1D free energy surface object as lines
lines.hillsfilePlot lines for hillsfile object
lines.nebpathPlot lines for Nudged Elastic Band
linesonfesPlot lines for Nudged Elastic Band projected onto free energy...
max.fesCalculate maximum of free energy surface
min.fesCalculate minimum of free energy surface
nebFind transition path on free energy surface by Nudged Elastic...
oneminimumCreates one ad hoc free energy minimum for a fes object...
oneminimum.fesCreates one ad hoc free energy minimum for a fes object
plot.fesPlot free energy surface object
plotheightsPlot evolution of heights of hills (generic function for...
plotheights.hillsfilePlot evolution of heights of hills in hillsfile object
plot.hillsfilePlot hillsfile object
plot.minimaPlot minima object
plot.nebpathPlot Nudged Elastic Band
plot.profilesPlot free energy profile
points.fesPlots 1D free energy surface object as points
points.hillsfilePlot points for hillsfile object
points.nebpathPlot points for Nudged Elastic Band
pointsonfesPlot points for Nudged Elastic Band projected onto free...
print.fesPrint dimensionality, minimum and maximum of free energy...
print.hillsfilePrint hillsfile
print.minimaPrint minima object
print.nebpathPrint Nudged Elastic Band minima
print.profilesPrint profiles object
probCalculate probability of free energy surface
read.hillsRead HILLS from Plumed
read.plumedRead 1D or 2D free energy surface from PLUMED sum_hills
summary.fesPrint summary of free energy surface
summary.hillsfilePrint summary for hillsfile
summary.minimaPrint minima object summary
summary.nebpathPrint summary for Nudged Elastic Band
summary.profilesPrint summary for free energy profile
tail.hillsfilePrint last n lines of hillsfile
metadynminer documentation built on Aug. 20, 2019, 5:24 p.m.