Man pages sections > man1 > csg_reupdate

csg_reupdate - Part of the VOTCA package

csg_reupdate(1) General Commands Manual csg_reupdate(1)

NAME

csg_reupdate - Part of the VOTCA package
 

SYNOPSIS

csg_reupdate [OPTION] [OPTIONPARAMETERS]
 

DESCRIPTION

computes relative entropy update.
 
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 (only needed for RE update)
 
RE Specific options:
--options arg
options file for coarse graining
--gentable arg (=0)
only generate potential tables from given parameters, NO RE update!
--interaction arg
[OPTIONAL] generate potential tables only for the specified interactions, only valid when 'gentable' is true
--param-in-ext arg (=param.cur)
Extension of the input parameter tables
--param-out-ext arg (=param.new)
Extension of the output parameter tables
--pot-out-ext arg (=pot.new)
Extension of the output potential tables
--hessian-check arg (=1)
Extension of the output potential tables
 
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_reupdate --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 14:44:48 UTC 2016 Version: 1.3