Home > People > Faculty > Dr. Heinz

Dr. Hendrik Heinz

Assistant Professor

Home | Research Website | Publications | Curriculum Vitae | Contact | Downloads

Downloads

Force Field Parameters and Models for Layered Silicates

Through the following link, you can download force field parameters and models (.car/.mdf) for the layered silicates mica, montmorillonite, and pyrophyllite, which allow the quantitative simulation of these minerals and their interfacial properties with water, organic molecules, and biopolymers.

The parameters are ready-to-use with PCFF (Polymer Consistent Force Field) and CVFF (Consistent Valence Force Field) and compatible with the CHARMM and GROMACS force fields.

Download

© 2009 by The University of Akron - Contact Us