Hello to everyone.
I am new to Amber, and have an interesting system i want to model as it is
not something that seems to be usually simulated in Amber. I have trying
to model a thin film of a metal oxide and i want to use Amber only to find
the relaxed coordinates. (I am trying to use Amber for this because it is
already installed on our cluster and because we are trying to look at many
many atoms, and the initial minimization takes way to long with the DFT
software we have.) Amber does not have any parameters for the metal and I
cannot seems to Amber to use my frcmod file for the metal, and i'm pretty
stuck on this. I don't know if it can't be done or i am not experienced
enough or what... Any ideas?
Thanks Gabriel G
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Received on Mon Feb 18 2013 - 14:30:04 PST
