This is part of the vatom module |
Calculate the absolute position of a ghost atom with fixed coordinates in the local reference frame formed by three atoms. The computed ghost atom is stored as a virtual atom that can be accessed in an atom list through the the label for the GHOST action that creates it.
ATOMS | the list of atoms which are involved the virtual atom's definition. For more information on how to specify lists of atoms see Groups and Virtual Atoms |
COORDINATES | coordinates of the ghost atom in the local reference frame. For more information on how to specify lists of atoms see Groups and Virtual Atoms |
The following input instructs plumed to print the distance between the ghost atom and the center of mass for atoms 15,20:
c1: GHOST ATOMS=1,5,10 COORDINATES=10.0,10.0,10.0 c2: COM ATOMS=15,20 d1: DISTANCE ATOMS=c1,c2 PRINT ARG=d1