s-cosseddu/RMD
General function to analyse MD simulations

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s-cosseddu/RMD: General function to analyse MD simulations
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General function to analyse MD simulations

coord.data.frame.RAtom coordinates to data frame
dihe.trjDihedral angles from Molecular Dynamics in Matrix
dist.trjAtom distances from Molecular Dynamics Trajectories
filled.contour.linesColor Filled Contour Plot with multiple options
free.energyFree Energy from Molecular Dynamics Distributions
maSimple moving average procedure
qfilled.contourQuick Color Filled Contour Plot
red2blue.rmcpalettesPalettes of RMD package
rmdfilled.contourCustom version of filled.contour
rmdsmooth.splineQuick smoothing with spline
surf.spline.smoothQuick surface smoothing with thin plate spline
s-cosseddu/RMD documentation built on May 28, 2019, 10:46 a.m.

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