NAME
     CalcVdw - find Van der Waals violations

SYNOPSIS
     CalcVdw expr expr ( 0 | 1 ) ( 0 | 1 ) ( 0 | 1 )

DESCRIPTION
     Find pairs of selected atoms with Van der Waals
     violations larger than the cutoff given as first
     argument.

     The first option determines whether violations
     within structures or violations between atoms of
     different structures are desired.

     Depending on the other two options, the command will
     create a report with the violations, will add them
     to the display as lower distance limits, or both.
     Only violations that occur in a minimal number of
     structures given as third argument appear in the
     report.

     In the report produced by this command, a table of
     violations will be created for each set of molecules
     with the same structure. A '+' sign indicates that
     the violation is present in the molecule corresponding
     to the column, a '*' marks the largest of these
     violations. The '+' sign is replaced by a '5' for
     molecules 5, 15, 25, ... and by a '0' for molecules
     10, 20, 30, ...

     This command supports groups.

EXAMPLE
     CalcVdw 0.3 1 0 1 0

SEE ALSO
     SelectAtom, Group, RemoveDist

DATE
     981101
