This is part of the colvar module |
Return one or more constant quantities with or without derivatives.
Useful in combination with functions that takes in input constants or parameters.
By default this Action calculates the following quantities. These quantities can be referenced elsewhere in the input by using this Action's label followed by a dot and the name of the quantity required from the list below.
Quantity | Description |
v | the # value |
NOPBC | ( default=off ) ignore the periodic boundary conditions when calculating distances |
NODERIV | ( default=off ) Set to TRUE if you want values without derivatives. |
VALUES | The values of the constants |
VALUE | The value of the constant |
The following input instructs plumed to compute the distance between atoms 1 and 2. If this distance is between 1.0 and 2.0, it is printed. If it is lower than 1.0 (larger than 2.0), 1.0 (2.0) is printed
cn: CONSTANT VALUES=1.0,2.0 dis: DISTANCE ATOMS=1,2 sss: SORT ARG=cn.v-0,dis,cn.v-1 PRINT ARG=sss.2
In case you want to pass a single value you can use VALUE:
cn: CONSTANT VALUE=1.0 dis: DISTANCE ATOMS=1,2 sss: SORT ARG=cn,dis PRINT ARG=sss.1