csg_stat1
Part of the votca package
Usage
csg_stat [OPTIONS]
csg_stat [--help]
Overview
Calculate all distributions (bonded and non-bonded) specified in options file. Optionally calculates update Eigen::Matrix3d for invere Monte Carlo. This program is called inside the inverse scripts. Unlike csg_boltzmann, big systems can be treated as well as non-bonded interactions can be evaluated.
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:
--options arg options file for coarse graining
--do-imc write out additional Inverse Monte Carlo data
--include-intra do not exclude intramolecular neighbors
--block-length arg write blocks of this length, the averages are
cleared after every write
--ext arg (=dist.new) Extension of the output
Threading options:
--nt arg (=1) number of threads
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.
--block-length until Debian 11 (Bullseye);
--cg until Debian 11 (Bullseye);
--do-blocks until Debian 8 (Jessie);
--do-imc until Debian 11 (Bullseye);
--help until Debian 11 (Bullseye);
--map-ignore until Debian 11 (Bullseye);
--nframes until Debian 11 (Bullseye);
--options 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);
--write-every until Debian 8 (Jessie);
-h until Debian 11 (Bullseye);
-v until Debian 11 (Bullseye).