W1, W2, W3, W4

Specifies that each odata entry gives the centre of mass coordinates of a rigid water molecule to be described by a TIPS potential[33] of type 1, 2, 3 or 4. In this case an additional file named Euler must exist in the current working directory and contain the appropriate Euler angles,[34,35] three per line, for the molecules specified in the odata file. Subroutines used: h2o.