From: Abhaysinh Gaikwad (ahgaikwa_at_aggies.ncat.edu)
Date: Fri Sep 01 2017 - 14:47:21 CDT
My system has 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. I am constraining the
silicon atoms to maintain their shape configuration by following script.
But, before even SMD starts the silicon geometry gets break and it expands.
For SMD I am using following script
Can anyone suggest how we can maintain the silicon shape/geometry constant
and pull it down to the gold substrate?
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