xyzstart [filename]

Gives the inital structure of the system for the explore and the dynamic programs. The structure must be given in Angstroms and needs to have the usual xyz formate, e.g.:

 3
 Comment: a water molecule
 O  0.000000  0.000000  0.000000
 H  0.758600  0.000000  0.504280
 H  0.758600  0.000000  -0.504280