Man pages for metadynminer3d
Tools to Read, Analyze and Visualize Metadynamics 3D HILLS Files from 'Plumed'

acealanme3dHills from 30 ns metadynamics of AceAlaNme in water with...
feprof.minima3dCalculate free energy profile for minima3d object
fes2.hillsfile3dCalculate 3D free energy surface by conventional algorithm
fes.hillsfile3dCalculate 3D free energy surface by Bias Sum algorithm
fesminima.fes3dFind free energy minima in the fes3d object
fespoint.hillsfile3dCalculate free energy at given point in the CV space
head.hillsfile3dPrint first n lines of hillsfile3d
max.fes3dCalculate maximum of 3D free energy surface
min.fes3dCalculate minimum of 3D free energy surface
oneminimum.fes3dCreates one ad hoc 3D free energy minimum for a fes object
plot.fes3dPlot 3D free energy surface object
plotheights.hillsfile3dPlot evolution of heights of hills in hillsfile3d object
plot.hillsfile3dPlot hillsfile3d object
plot.minima3dPlot minima3d object
print.fes3dPrint minimum and maximum of 3D free energy surface
print.hillsfile3dPrint hillsfile3d
print.minima3dPrint minima3d object
read.hills3dRead 3D HILLS from Plumed
read.plumed3dRead 3D free energy surface from PLUMED sum_hills
summary.fes3dPrint summary of 3D free energy surface
summary.hillsfile3dPrint summary for hillsfile3d
summary.minima3dPrint minima3d object summary
tail.hillsfile3dPrint last n lines of hillsfile3d
metadynminer3d documentation built on April 14, 2022, 5:08 p.m.