AMBER Archive (2009)

Subject: [AMBER] AMOEBA and carbon nanotubes + include parameters

From: Tomasio, Susana (S.M.T.Tomasio_at_warwick.ac.uk)
Date: Thu May 28 2009 - 05:23:00 CDT

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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