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csg_resample - Man Page

Part of the VOTCA package


csg_resample [Options]

csg_resample [--help]


Change grid and interval of any sort of table files. Mainly called internally by inverse script, can also be used to manually prepare input files for coarse-grained simulations.


Allowed options:

 --help                produce this help message
 --in arg              table to read
 --out arg             table to write
 --derivative arg      table to write
 --grid arg            new grid spacing (min:step:max). If 'grid' is specified
                       only, interpolation is performed.
 --type arg (=akima)   [cubic|akima|linear]. If option is not specified, the
                       default type 'akima' is assumed.
 --fitgrid arg         specify fit grid (min:step:max). If 'grid' and
                       'fitgrid' are specified, a fit is performed.
 --nocut               Option for fitgrid: Normally, values out of fitgrid
                       boundaries are cut off. If they shouldn't, choose
 --comment arg         store a comment in the output table
 --boundaries arg      (natural|periodic|derivativezero) sets boundary


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


csg_resample User Manual VOTCA Development Team