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csg_reupdate - Man Page

Part of the VOTCA package


csg_reupdate [Options]

csg_reupdate [--help]


computes relative entropy update.


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

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>


csg_reupdate User Manual VOTCA Development Team