Script for contact angle

Dear all,

Here is a script for calculating the contact angle of a droplet on a surface using Mesocite. The input is a trajectory containing a DROPLET and a SURFACE set. The radius of the free droplet must be known in advance. The method is that of Hautman and Klein.

To do list:

  • Extend to Forcite
  • Automate calculation of free droplet radius (how to do this?)

Post back your results with as much info as possible!

Best regards,

/Jason