AMBER Archive (2009)
Subject: [AMBER] AMOEBA and carbon nanotubes + include parameters
From: Tomasio, Susana (S.M.T.Tomasio_at_warwick.ac.uk)
Dear Amber users
I want to simulate a peptide with a carbon nanotube with the polarisable AMOEBA force field.
I have the parameters for the description of the interactions between the peptide and the nanotube and I
Now I would like to simulate this system with AMBER, so I could include atomistic water.
How can I add the parameters for the carbon nanotube so that sleap can recognize the residue?