NAME¶
csg_density - Part of the VOTCA package
SYNOPSIS¶
csg_density [OPTIONS]
csg_density [–help]
DESCRIPTION¶
Calculates the mass density distribution along a box axis or radial density profile from reference point
OPTIONS¶
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
Mapping options:
--cg arg [OPTIONAL] coarse graining mapping and bond
definitions
(xml-file). If no file is given, program acts on
original trajectory
--map-ignore arg list of molecules to ignore if mapping is done
separated by ;
Specific options::
--type arg (=mass) density type: mass or number
--axis arg (=r) [x|y|z|r] density axis (r=spherical)
--step arg (=0.01) spacing of density
--block-length arg write blocks of this length, the averages are
cleared after every write
--out arg Output file
--rmax arg rmax (default for [r] =min of all box vectors/2, else
l )
--scale arg (=1) scale factor for the density
--molname arg (=*) molname
--filter arg (=*) filter bead names
--ref arg reference zero point
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