MULTICOLVARDENS
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