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.
- The atoms involved can be specified using
ATOMS | the list of atoms which are involved the virtual atom's definition |
COORDINATES | coordinates of the ghost atom in the local reference frame |
- Examples
- The following input instructs plumed to print the distance between the ghost atom and the center of mass for atoms 15,20:
GHOST ATOMS=1,5,10 COORDINATES=10.0,10.0,10.0 LABEL=c1
COM ATOMS=15,20 LABEL=c2
DISTANCE ATOMS=c1,c2 LABEL=d1
PRINT ARG=d1
(See also DISTANCE and PRINT).
- Warning
- If a force is added to a ghost atom, the contribution to the virial could contain small artifacts. It is therefore discouraged to use GHOST in a constant pressure simulation.