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## Startup

- `Startup <type> [<optional parameters>]`

  How to set up initial coordinates. This option has an effect only if `Read_restart` was specified as ``no''

  `<type>` may be one of the following:

  `xmol` (default) - the input configuration is taken from file `<Main_filename>.start` (see keyword ```Main_filname`'') which should be in ``XMOL'' format The second (commentary) line of this file may contain box sizes (which follow after keyword `BOX:`). They will be used as actual box sizes if keyword ```Change_V`'' is not set or set to ``no''. If keyword ```Change_V`'' is set to ``yes'', the box sizes specified by keywords ```Box`'' or ```Density`'' will be used.

  `xyz` - the input configuration is taken from coordinates written as three columns of X Y Z coordinates in `<Main_filename>.start` file

  `Mol_COM` - molecular center-of mass coordinates are taken from

  `<Main_filename>.start` file, as three columns of X Y Z coordinates.

  `FCC` - molecular center of mass coordinates are put on a FCC lattice

  `Cubic` - molecular center of mass coordinates are put on a cubic lattice

  `Cyl_hole <radius>`

  `Sph_hole <radius>`

  Molecules, except those defined in option `Start_rot` are distributed outside sphere or cylinder of radius `<radius>`

  In all cases, except ``xmol'' and ``xyz'', atom coordinates are build around molecular center-of-mass using local coordinates specified in the corresponding .mmol files.

- `Start_rot <i_1> <i_2> <i_3> ... <i_ntypes>`

  This option has an effect only at Startup with options:

  Startup option ``FCC'' or ``cubic'':

  Tells which molecules rotate randomly (parameter `i_n` =0 ) and which not (`i_n` = 1)

  If Startup options ``xmol'' or ``xyz'' are specified, keyword `Start_rot` do not have any effect.

  Startup options ```Cyl_hole`'' and ```Sph_hole`'':

  Molecules which should be placed inside cylindrical or spherical hole, are marked by parameter `i_n` = 1. Initial coordinates of atoms of such molecules are taken from the corresponding .mmol file and it can be only a single molecule of this type. Other molecules (with `i_n = 0`) are distributed outside the spherical or cylindrical hole.

  Default: all `i_n`=1 (rotate molecules randomly)

- `Gather`

  Gather each molecule in one place (if its atoms were spread over different periodical images). Works both at start-up and at restart.

  Default: use coordinates as they are.

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