From: S.K. Ghosh (skg30_at_cam.ac.uk)
Date: Tue Feb 17 2009 - 14:14:36 CST
I would like to know whether the following can be modelled using NAMD.
A simple alkane thiol on gold. Wish to evaluate the lateral force at which
the S atom (of the thiol) starts sliding/desorption on gold.
Can we get Sulphur-Gold potential parameters?
The system would contain 2-3 layers of gold atoms, each layer with around
10 gold atoms. On top of gold layer around 5-6 thiols.
Your inputs would be very much valuable and appreciated.
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