[AMBER] AMOEBA and carbon nanotubes + include parameters

From: Tomasio, Susana <S.M.T.Tomasio.warwick.ac.uk>
Date: Thu, 28 May 2009 11:23:00 +0100

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
previously simulated this system with TINKER.

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?

Thank you,

Susana
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Received on Fri May 29 2009 - 01:08:14 PDT
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