csg_stat - Man Page

Part of the VOTCA package


csg_stat [Options]

csg_stat [--help]


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.


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

                           (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


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


csg_stat User Manual VOTCA Development Team