Number of atoms passed correctly

PLUMED must receive the number of atoms that are being simulated from the MD code in order to calculate CVs correctly.
To test this number is passed correctly to PLUMED we run a short trajectory and output the positions of all the atoms that are passed to PLUMED using the following command:

Click on the labels of the actions for more information on what each action computes
tested on2.9
tested onmaster
DUMPATOMS
Dump selected atoms on a file. More details
 
ATOMS
the atom indices whose positions you would like to print out
=
@mdatoms
refers to all the MD codes atoms but not PLUMEDs vatoms. Click here for more information. 
 
FILE
file on which to output coordinates; extension is automatically detected
=plumed.xyz

Trajectory

Input and output files for the test calculation are available in this zip archive

Results

The first two columns of the table below contains the number of atoms that were in the structure the MD trajectory started from and the number of atomic positions that were output by the command above. If the PLUMED interface is working correctly these two numbers should be identical.

MD code output PLUMED output Tolerance % Difference
108 108 0.01 0.0
108 108 0.01 0.0
108 108 0.01 0.0
108 108 0.01 0.0
108 108 0.01 0.0
108 108 0.01 0.0
108 108 0.01 0.0
108 108 0.01 0.0
108 108 0.01 0.0
108 108 0.01 0.0