	This is part of the ves module
	It is only available if you configure PLUMED with ./configure –enable-modules=ves . Furthermore, this feature is still being developed so take care when using it and report any problems on the mailing list.

Output target distribution to file.

This action can be used to output target distributions to a grid file, for example to see how they look like before using them in a VES bias. This action only support static target distributions.

This action is normally used through the driver.

Compulsory keywords

GRID_MIN	the lower bounds for the grid
GRID_MAX	the upper bounds for the grid
GRID_BINS	the number of bins used for the grid.
TARGETDIST_FILE	filename of the file for writing the target distribution
TARGET_DISTRIBUTION	the target distribution to be used.

Options

DO_1D_PROJECTIONS	( default=off ) Also output the one-dimensional marginal distributions for multi-dimensional target distribution.
GRID_PERIODICITY	specfiy if the individual arguments should be made periodic (YES) or not (NO). By default all arguments are taken as not periodic.
LOG_TARGETDIST_FILE	filename of the file for writing the log of the target distribution
FMT_GRIDS	the numerical format of the target distribution grids written to file. By default it is %14.9f

Examples

In the following input we define a target distribution that is uniform for argument 1 and a Gaussian for argument 2 and then output it to a file called targetdist-1.data.

t1_1: TD_UNIFORM  MINIMA=-4.0  MAXIMA=+4.0
t1_2: TD_GAUSSIAN  CENTER1=-2.0  SIGMA1=0.5
t1: TD_PRODUCT_DISTRIBUTION  DISTRIBUTIONS=t1_1,t1_2

VES_OUTPUT_TARGET_DISTRIBUTION ...
 GRID_MIN=-4.0,-4.0
 GRID_MAX=+4.0,+4.0
 GRID_BINS=100,100
 TARGET_DISTRIBUTION=t1
 TARGETDIST_FILE=targetdist-1.data
 LOG_TARGETDIST_FILE=targetdist-1.log.data
 FMT_GRIDS=%11.6f
... VES_OUTPUT_TARGET_DISTRIBUTION

This input should be run through the driver by using a command similar to the following one where the trajectory/configuration file conf.gro is needed to trick the code to exit correctly.

plumed driver --plumed plumed.dat --igro conf.gro