Hello AMBER users!
Could you please provide advice on how to set-up a Self-assembled monolayer
simulation?
I am interested in building an aromatic ligand bonded with an Au surface and
solvate
the box. On your experience, what is the best approach? Do I have to
build a single "monomer" that contains a gold atom and the aromatic
molecule and then use pacmol or VMD to repeat the unit?
I've used AMBER before but Its the first time I have to build this type of
simulation...
Any comments would be great!
Thank you!
Have a great day,
Rodrigo
Physical Chemistry Department
Chemistry Institute
UNAM
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Received on Sun Oct 16 2011 - 09:30:03 PDT
