AMBER Archive (2008)

Subject: AMBER: graphite

From: Boutheina Kerkeni (b.kerkeni_at_ucl.ac.uk)
Date: Fri Jan 11 2008 - 05:26:58 CST

Dear Amber users

I want to model the optimum orientation of a protein on a 'edge on'
graphite.
Does any one know how to first model a slab of bulk graphite with
Amber, ie create topology and parameters, is it possible to do a
periodic calculation, minimization and MD?
  thanks in advance
regards
Boutheina
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