csg_reupdate man page

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 1.4 )

Info

Sun Oct 30 21:47:20 UTC 2016 Version: 1.4