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csg_stat - Part of the VOTCA package

csg_stat(1) General Commands Manual csg_stat(1)

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 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 1.3 )
 
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.
 
Thu Dec 1 14:46:55 UTC 2016 Version: 1.3