NAME¶

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 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.

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

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

--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 2021 )

COPYRIGHT¶

Copyright 2009-2011 The VOTCA Development Team (http://www.votca.org)

Licensed under the Apache License, Version 2.0 (the "License"); you may not use this file except in compliance with the License. You may obtain a copy of the License at

http://www.apache.org/licenses/LICENSE-2.0

Unless required by applicable law or agreed to in writing, software distributed under the License is distributed on an "AS IS" BASIS, WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. See the License for the specific language governing permissions and limitations under the License.