csg_stat man page

csg_stat — Part of the VOTCA package

Synopsis

csg_stat [OPTION] [OPTIONPARAMETERS]

Description

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__.

Options

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

--do-imc

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

Authors

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 1.4.1 )

Info

Mon Sep 4 01:59:48 UTC 2017 Version: 1.4.1