| This is part of the multicolvar module |
Dump atom positions and multicolvar on a file.
- The atoms involved can be specified using
| ORIGIN | we will use the position of this atom as the origin. For more information on how to specify lists of atoms see Groups and Virtual Atoms |
- Compulsory keywords
| DATA | certain actions in plumed work by calculating a list of variables and summing over them. This particular action can be used to calculate functions of these base variables or prints them to a file. This keyword thus takes the label of one of those such variables as input. |
| STRIDE | ( default=1 ) the frequency with which the data should be collected and added to the grid |
| RUN | the frequency with which the density profile is written out |
| DIR | the direction in which to calculate the density profile |
| NBINS | the number of bins to use to represent the density profile |
| BANDWIDTH | the bandwidths for kernel density esimtation |
| KERNEL | ( default=gaussian ) the kernel function you are using. More details on the kernels available in plumed plumed can be found in kernelfunctions. |
| OFILE | ( default=density ) the file on which to write the profile |
- Options
| FRACTIONAL | ( default=off ) use fractional coordinates on the x-axis |
| NOMEMORY | ( default=off ) do a block averaging rather than a cumulative average |
| DUMP_CUBE | ( default=off ) write out a Gaussian cube file to visualise the three dimensional density
|
- Examples
1.8.10 
