| 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 =1 =-3.14,3.14 The FAKE action with label d2 calculates a single scalar value
- Glossary of keywords and components
- Description of components
The names of the components in this action can be customized by the user in the actions input file. However, in addition to the components that can be customized the following quantities will always be output
Quantity | Description |
.#!custom | the names of the output components for this action depend on the actions input file see the example inputs below for details |
- 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 |