FAKE

This is part of the colvar module

This is a fake colvar container used by cltools or various other actions that supports input and period definitions

Examples

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

d2: FAKE 
ATOMS
the fake atom index, a number is enough. 
=1 
PERIODIC
compulsory keyword 
if the output of your function is periodic then you should specify the periodicity
of the function. 
=-3.14,3.14 The FAKE action with label d2 calculates a single scalar value

Glossary of keywords and components

The atoms involved can be specified using

ATOMS

the fake atom index, a number is enough. For more information on how to specify lists of atoms see Groups and Virtual Atoms

Compulsory keywords

PERIODIC

if the output of your function is periodic then you should specify the periodicity of the function. If the output is not periodic you must state this using PERIODIC=NO,NO (one for the lower and the other for the upper boundary). For multicomponents then it is PERIODIC=mincomp1,maxcomp1,mincomp2,maxcomp2 etc

Options

NUMERICAL_DERIVATIVES	( default=off ) calculate the derivatives for these quantities numerically
NOPBC	( default=off ) ignore the periodic boundary conditions when calculating distances
COMPONENTS	additional components that this variable is supposed to have. Periodicity is ruled by PERIODIC keyword