Dear all:
Recently, I am trying to calculate the mechanical properties of montmorillonite with the module of discover (MS) by applying external stress to the structure, and as far as I know the recently developed ClayFF force field is the most used in this field.
But it is a pity that this forcefield is not included in the discover module.
Is there anyboy who has tried to insert the "Clayff" forcefield into the discover module (MS)?
I am wondering if anyone can offer the relative files (clayff.frc clayff.rlb and clayff_templates.dat) or suggest me the proper procedure of doing this.
Thanking in advance.
Kuang