| ANGLE |
Calculate one or multiple angle/s. |
| CELL |
Get the components of the simulation cell |
| CHARGE |
Get the charges of one or multiple atoms |
| CONTACTMAP |
Calculate the distances between a number of pairs of atoms and transform each distance by a switching function. |
| COORDINATION |
Calculate coordination numbers. |
| DHENERGY |
Calculate Debye-Huckel interaction energy between the atoms in GROUPA and GROUPB. |
| DIHEDRAL_CORRELATION |
Measure the correlation between a pair of dihedral angles |
| DIMER |
This CV computes the dimer interaction energy for a collection of dimers. |
| DIPOLE |
Calculate the dipole moment for a group of atoms. |
| DISTANCE |
Calculate the distance/s between pairs of atoms. |
| DRMSD |
Calculate the distance RMSD with respect to a reference structure. |
| EEFSOLV |
Calculates EEF1 solvation free energy for a group of atoms. |
| ENERGY |
Calculate the total potential energy of the simulation box. |
| ERMSD |
Calculate eRMSD with respect to a reference structure. |
| EXTRACV |
Allow PLUMED to use collective variables computed in the MD engine. |
| FAKE |
This is a fake colvar container that is used by cltools or various other actions that supports input and period definitions |
| GHBFIX |
Calculate the GHBFIX interaction energy between GROUPA and GROUPB |
| GYRATION |
Calculate the radius of gyration, or other properties related to it. |
| GYRATION_TENSOR |
Calculate the gyration tensor using a user specified vector of weights |
| MASS |
Get the mass of one or multiple atoms |
| MULTI_RMSD |
Calculate RMSD distances for different domains and combine them. |
| PATHMSD |
This Colvar calculates path collective variables. |
| PCARMSD |
Calculate the PCA components for a number of provided eigenvectors and an average structure. |
| PLANE |
Calculate the plane perpendicular to two vectors in order to represent the orientation of a planar molecule. |
| POSITION |
Calculate the components of the position of an atom or atoms. |
| PROJECTION_ON_AXIS |
Calculate a position based on the projection along and extension from a defined axis. |
| PROPERTYMAP |
Calculate generic property maps. |
| PUCKERING |
Calculate sugar pseudorotation coordinates. |
| RMSD |
Calculate the RMSD with respect to a reference structure. |
| TEMPLATE |
This file provides a template for if you want to introduce a new CV. |
| TORSION |
Calculate one or multiple torsional angles. |
| VOLUME |
Calculate the volume the simulation box. |
