[gmx-users] Question about gold-S simulation

hyunjink at andrew.cmu.edu hyunjink at andrew.cmu.edu
Thu Jan 3 21:49:25 CET 2013


I saw Fatemeh's and others' posts regarding gold and S FF parameters.
I have a few questions regarding this:

1. The vdW parameters for Au changed according to interaction atoms such
as C, H, N, S, etc.
However, I wonder, if the system includes both S and N, which interact
with Au, then which parameter should I use for Au, one for Au-N or one for

2. Can you send me papers you obtained the FF parameters for Au?

3. The charge of Au is zero?

Thanks in advance.


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