Man pages for metadynminer3d
Tools to Read, Analyze and Visualize Metadynamics 3D HILLS Files from 'Plumed'
| acealanme3d | Hills from 30 ns metadynamics of AceAlaNme in water with... |
| feprof.minima3d | Calculate free energy profile for minima3d object |
| fes2.hillsfile3d | Calculate 3D free energy surface by conventional algorithm |
| fes.hillsfile3d | Calculate 3D free energy surface by Bias Sum algorithm |
| fesminima.fes3d | Find free energy minima in the fes3d object |
| fespoint.hillsfile3d | Calculate free energy at given point in the CV space |
| head.hillsfile3d | Print first n lines of hillsfile3d |
| max.fes3d | Calculate maximum of 3D free energy surface |
| min.fes3d | Calculate minimum of 3D free energy surface |
| oneminimum.fes3d | Creates one ad hoc 3D free energy minimum for a fes object |
| plot.fes3d | Plot 3D free energy surface object |
| plotheights.hillsfile3d | Plot evolution of heights of hills in hillsfile3d object |
| plot.hillsfile3d | Plot hillsfile3d object |
| plot.minima3d | Plot minima3d object |
| print.fes3d | Print minimum and maximum of 3D free energy surface |
| print.hillsfile3d | Print hillsfile3d |
| print.minima3d | Print minima3d object |
| read.hills3d | Read 3D HILLS from Plumed |
| read.plumed3d | Read 3D free energy surface from PLUMED sum_hills |
| summary.fes3d | Print summary of 3D free energy surface |
| summary.hillsfile3d | Print summary for hillsfile3d |
| summary.minima3d | Print minima3d object summary |
| tail.hillsfile3d | Print last n lines of hillsfile3d |
