csg_stat man page

csg_stat — Part of the VOTCA package




Calculate all distributions (bonded and non-bonded) specified in options file. Optionally calculates update matrix 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.

Please visit the program site at __http://www.votca.org__.


Allowed options:

-h [ --help ]
display this help and exit
-v [ --verbose ]
be 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
write out additional Inverse Monte Carlo data
--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>

This Manual Page was converted from t2t format to the this format by txt2tags (http://txt2tags.org) ! The t2t file was extracted from 'csg_stat --help' by help2t2t (version 1.4 )


Sun Oct 30 21:47:22 UTC 2016 Version: 1.4