csg_density(1)

csg_density1

Part of the votca package

Usage

csg_density [OPTIONS]

csg_density [--help]

Overview

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

Releases

6 releases since Debian 8 (Jessie); the text changed 5 times.

  1. 8
  2. 9
  3. 10
  4. 11
  5. 12
  6. 13

--block-length until Debian 11 (Bullseye); --cg until Debian 11 (Bullseye); --help until Debian 11 (Bullseye); --map-ignore until Debian 11 (Bullseye); --nframes until Debian 11 (Bullseye); --out until Debian 11 (Bullseye); --ref until Debian 11 (Bullseye); --rmax until Debian 11 (Bullseye); --top until Debian 11 (Bullseye); --trj until Debian 11 (Bullseye); --verbose until Debian 11 (Bullseye); --verbose1 until Debian 11 (Bullseye); --verbose2 until Debian 11 (Bullseye); -h until Debian 11 (Bullseye); -v until Debian 11 (Bullseye).

Authors

Written and maintained by the VOTCA Development Team <[email protected]>

From votca 2024.2-4 in Debian 13 (Trixie). Parsed by carta from the page's man source.