csg_reupdate - Man Page

Part of the VOTCA package




computes relative entropy update.

Please visit the program site at __http://www.votca.org__.


Allowed options:

-h [ --help ]

display this help and exit


be loud and noisy


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


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 )


2021-03-13 00:00:00 Version: 2021