csg_fluctuations - Man Page

Part of the VOTCA package


csg_fluctuations [Options]

csg_fluctuations [--help]


calculate density fluctuations in subvolumes of the simulation box.Subolumes can be either cubic slabs in dimensions (x|y|z) or sphericalslabs with respect to either the center of box or a reference molecule


Allowed options:

 -h [ --help ]                        display this help and exit
 --verbose                            be loud and noisy
 --verbose1                           be very loud and noisy
 -v [ --verbose2 ]                    be extremly loud and noisy
 --top arg                            atomistic topology file
Fluctuation options:
 --filter arg (=*)                  filter molecule names
 --rmax arg                         maximal distance to be considered
 --rmin arg (=0)                    minimal distance to be considered
 --refmol arg                       Reference molecule
 --nbin arg (=100)                  Number of bins
 --geometry arg                     (sphere|x|y|z) Take radial or x, y, z
                                    slabs from rmin to rmax
 --outfile arg (=fluctuations.dat)  Output file
Mapping options:
 --cg arg                             coarse graining mapping and bond
                                    definitions (xml-file)
 --map-ignore arg                     list of molecules to ignore separated by
 --no-map                             disable mapping and act on original
Trajectory options:
 --trj arg                            atomistic trajectory file

--begin arg (=0)                     skip frames before this time (only works
                                    for Gromacs files)
 --first-frame arg (=0)               start with this frame
 --nframes arg                        process the given number of frames


Written and maintained by the VOTCA Development Team <devs@votca.org>


csg_fluctuations User Manual VOTCA Development Team