| 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
- 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 |
- Examples
FAKE ATOMS=1 PERIODIC=-3.14,3.14 LABEL=d2
1.8.14