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

--verbose

be loud and noisy

--verbose1

be very loud and noisy

-v [ --verbose2 ]

be extremly 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)

Disable the hessian check (mostly for testing)

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 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.