next up previous contents index
Next: The FIELD File Up: The INPUT files Previous: The CONTROL File   Contents   Index


The CONFIG File

The format of the CONFIG file for DL_MULTI is exactly the same as for DL_POLY_2 . Remember that all molecules of a particular molecule type must come together in the file and all atoms of a molecule must come together in the same order for all molecules. If the molecule has enantiomers, these are treated as two different molecules and all configurations of the first enantiomer must come before any of the second.



W Smith 2003-05-12