menu.gopenmol-0

已经编译好的levoo程序

 ............MENU for gOpenMol writer .................
 ......... Change these parameters if necessary:.......
 
   1. The box center is at: (   0.00000,   0.00000,   0.00000)
      Directions of the box sides are fixed along:
          1   <   1.00000,   0.00000,   0.00000  >
          2   <   0.00000,   1.00000,   0.00000  >
          3   <   0.00000,   0.00000,   1.00000  >
   2. Lengths of the box sides (in A) are:     1.00000    1.00000    1.00000
     >>>> the starting point (corner) of the box is at    -0.50000   -0.50000
      -0.50000
   3. Box extension for xyz-file: [    0.00000    0.00000    0.00000]
   4. The grid  in the box in 3 directions:    1   1   1
     >>>> total number of grid points =          1
     >>>> steps along 3 directions are     1.00000    1.00000    1.00000
   5. Scan the box and integrate the charge (reference only):
   W. Write the cube-format file for gOpenMol
-------  G e n e r a l  s e t t i n g s ---------
  An. Coordinates are specified in: <Angstroms> 
  Co. Show current atomic positions in fractional/Cartesian
  cT. Centre of a triangle of points/atoms
  mD. Middle distance between two points/atoms
  XY. Atoms in the XYZ box: constrained by the density box
------ L e a v e   t h e   m e n u -------------
   Q. Return to the previous menu
 
 ------> Choose the item and press ENTER: