DUMPMULTICOLVAR
This is part of the multicolvar module

Dump atom positions and multicolvar on a file.

Examples

In this examples we calculate the distances between the atoms of the first and the second group and we write them in the file MULTICOLVAR.xyz. For each couple it writes the coordinates of their geometric center and their distance.

Click on the labels of the actions for more information on what each action computes
tested on master
pos: GROUP 
ATOMS
the numerical indexes for the set of atoms in the group.
=220,221,235,236,247,248,438,439,450,451,534,535 neg: GROUP
ATOMS
the numerical indexes for the set of atoms in the group.
=65,68,138,182,185,267,270,291,313,316,489,583,621,711 slt: DISTANCES
GROUPA
Calculate the distances between all the atoms in GROUPA and all the atoms in GROUPB.
=pos
GROUPB
Calculate the distances between all the atoms in GROUPA and all the atoms in GROUPB.
=neg DUMPMULTICOLVAR
DATA
compulsory keyword certain actions in plumed work by calculating a list of variables and summing over them.
=slt
FILE
compulsory keyword file on which to output coordinates
=MULTICOLVAR.xyz

(see also DISTANCES)

Glossary of keywords and components
The atoms involved can be specified using
ORIGIN You can use this keyword to specify the position of an atom as an origin. The positions output will then be displayed relative to that origin. For more information on how to specify lists of atoms see Groups and Virtual Atoms
Compulsory keywords
DATA certain actions in plumed work by calculating a list of variables and summing over them. This particular action can be used to calculate functions of these base variables or prints them to a file. This keyword thus takes the label of one of those such variables as input.
STRIDE ( default=1 ) the frequency with which the atoms should be output
FILE file on which to output coordinates
UNITS ( default=PLUMED ) the units in which to print out the coordinates. PLUMED means internal PLUMED units
Options
PRECISION The number of digits in trajectory file