ALPHABETA |
Measures a distance including pbc between the instantaneous values of a set of torsional angles and set of reference values. |
ANGLES |
Calculate functions of the distribution of angles. |
COORD_ANGLES |
Calculate functions of the distribution of angles between bonds in the first coordination spheres of a set of atoms |
DIHCOR |
Measures the degree of similarity between dihedral angles. |
DISTANCES |
Calculate the distances between multiple piars of atoms |
DUMPMULTICOLVAR |
Dump atom positions and a vector of values to a file. |
INPLANEDISTANCES |
Calculate distances in the plane perpendicular to an axis |
MFILTER_LESS |
Apply a switching function to the input vector. |
MFILTER_MORE |
Apply one minus a switching function to the input vector. |
PLANES |
Calculate the components of the normals to the planes containing groups of three atoms. |
TORSIONS |
Calculate whether or not a set of torsional angles are within a particular range. |
UWALLS |
Add lower walls to a vector of quantities |
XANGLES |
Calculate the angle between an arbitrary vector and the positive x direction |
XDISTANCES |
Calculate the x components of the vectors connecting one or many pairs of atoms. |
XYTORSIONS |
Calculate the torsional angle around the x axis between an arbitrary vector and the positive y direction |
XZTORSIONS |
Calculate the torsional angle around the x axis between an arbitrary vector and the positive z direction |
YANGLES |
Calculate the angle between an arbitrary vector and the positive y direction |
YDISTANCES |
Calculate the y components of the vectors connecting one or many pairs of atoms. |
YXTORSIONS |
Calculate the torsional angle around the y axis between an arbitrary vector and the positive x direction |
YZTORSIONS |
Calculate the torsional angle around the y axis between an arbitrary vector and the positive z direction |
ZANGLES |
Calculate the angle between an arbitrary vector and the positive z direction |
ZDISTANCES |
Calculate the z components of the vectors connecting one or many pairs of atoms. |
ZXTORSIONS |
Calculate the torsional angle around the z axis between an arbitrary vector and the positive x direction |
ZYTORSIONS |
Calculate the torsional angle around the z axis between an arbitrary vector and the positive y direction |