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 ]
- produce this help message
- --top arg
- atomistic topology file
Mapping options:
- --cg arg
- [OPTIONAL] coarse graining mapping definitions (xml-file). If no file is
given, program acts on original trajectory
Specific options:
- --options arg
- options file for coarse graining
- --do-imc
- write out Inverse Monte Carlo data
- --write-every arg
- write after every block of this length, if --blocking is set, the averages
are cleared after every output
- --do-blocks
- write output for blocking analysis
Threading options:
- --nt arg (=1)
- number of threads
Trajectory options:
- --trj arg
- atomistic trajectory file
- --begin arg (=0)
- skip frames before this time
- --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 1.2.4 )
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.