Hello!
Could you please provide advice on how to set-up a SAS simulation? I
want to build an aromatic ligand bonded with an Au surface and solvate
the box. On your experience, what is the best aproach? 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?
Ive used AMBER before but Its the firs time I have to build thid type
of simmulation...
Any comments would be great!
Thank you!
Have a great day,
Rodrigo
Physical Chemistry Department
Chemistry Institute
UNAM
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Enviado desde mi dispositivo móvil
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Received on Tue Oct 04 2011 - 16:00:02 PDT
