| This is part of the colvar module |
This is a fake colvar container used by cltools or various other actions and just support input and period definition
- 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 componnets that this variable is supposed to have. Periodicity is ruled by PERIODIC keyword
|
- Examples
FAKE ATOMS=1 PERIODIC=-3.14,3.14 LABEL=d2
(See also PRINT).