Steered Molecular Dynamics

From: Abhaysinh Gaikwad (
Date: Thu Aug 24 2017 - 13:28:49 CDT

Hello All,

My system contains of two objects/geometries, one of silicon and one of
gold. The gold substrate is fixed at the bottom using fixed atom
constraints. The substrate with silicon is on the top and needs to be moved
to the gold atoms at a given velocity. However, the silicon atoms need to
maintain their shape configuration during downward movement. Can anyone
suggest how we can maintain the silicon shape/geometry constant and pull it
down to the gold substrate?

This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:31 CST