Dear Mattia
Hi
Thank you for your help and guidance.
However I could not find the Calcium parameters (yet).
Best regards
Taghdir
----- Original Message ----
From: Mattia Mori - CERM <mori.cerm.unifi.it>
To: amber.scripps.edu
Sent: Wednesday, December 5, 2007 2:45:08 PM
Subject: Re: AMBER: calcium and zinc parameter
In this paper you can find good Zinc parameters for Amber Force Field
Tuccinardi T, Martinelli A, Nuti E, Carelli P, Balzano F, Uccello-Barretta
G, Murphy G, Rossello A.
Bioorg. Med. Chem. 2006 14(12),
4260-4276
Or you can download
http://www.mmvsl.farm.unipi.it/downloads/free-downloads/amber-ff-parameters-for-the-zinc-hydroxammate-interaction/
For Calcium ions you can find parameters in related papers or databases.
Regards
Mattia
Madjid Taghdir ha scritto:
Dear amber users,
Hi
I am trying to simulate a protein with two heteroatom (Ca and Zn) that cordinated to its structure. how can I find the force constants and equilibrum bond , angle and so on.
Best regards
Tghdir
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Mattia Mori, PhD Student
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Received on Wed Dec 12 2007 - 06:07:26 PST
