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csg_reupdate - Part of the VOTCA package

Authors

       Written and maintained by the VOTCA Development Team <devs@votca.org>

Description

       computes relative entropy update.

Name

csg_reupdate - Part of the VOTCA package

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

Synopsis

csg_reupdate [OPTIONS]

       csg_reupdate [--help]

See Also