Action: MASS

Module	colvar
Description	Usage
Get the mass of one or multiple atoms
output value	type
the MASS of the atom/s	scalar/vector

Details and examples

Get the mass of one or multiple atoms

The following example shows how you can print the mass of atom one:

Click on the labels of the actions for more information on what each action computes

mThe MASS action with label m calculates the following quantities:
 Quantity   
 Type   
 Description  
m
scalar
the MASS of the atom/s: MASSGet the mass of one or multiple atoms More details ATOMSthe atom numbers that you would like to store the masses and charges of=1
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=m FILEthe name of the file on which to output these quantities=colvar

If you want to output the masses of multiple atoms you would use an input similar to the one below:

Click on the labels of the actions for more information on what each action computes

mThe MASS action with label m calculates the following quantities:
 Quantity   
 Type   
 Description  
m
vector
the MASS of the atom/s: MASSGet the mass of one or multiple atoms More details ATOMSthe atom numbers that you would like to store the masses and charges of=1-10
PRINTPrint quantities to a file. More details ARGthe labels of the values that you would like to print to the file=m FILEthe name of the file on which to output these quantities=colvar

This input outputs a 10 dimensional vector that contains the masses of the first 10 atoms.

Input

The atoms that serve as the input for this action are specified using one or more of the keywords in the following table.

Keyword	Type	Description
ATOMS	atoms	the atom numbers that you would like to store the masses and charges of

Full list of keywords

The following table describes the keywords and options that can be used with this action

Keyword	Type	Default	Description
ATOMS	input	none	the atom numbers that you would like to store the masses and charges of