AMBER Archive (2007)

Subject: Re: AMBER: calcium and zinc parameter

From: Madjid Taghdir (taghdir_m_at_yahoo.com)
Date: Tue Dec 11 2007 - 01:21:37 CST

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_at_cerm.unifi.it> To: amber_at_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 Looking for last minute shopping deals? Find them fast with Yahoo! Search. __________ Informazione NOD32 2703 (20071205) __________ Questo messaggio è stato controllato dal Sistema Antivirus NOD32 http://www.nod32.it -- **-**-**-**-**-**-**-**-**-**-**-**-** Mattia Mori, PhD Student CERM - Centro di Risonanze Magnetiche via L. Sacconi 6,, 50019 Sesto Fiorentino, FI fax (+39) 055 4573914 tel (+39) 055 4573912 www.cerm.unifi.it ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu ____________________________________________________________________________________ Never miss a thing. Make Yahoo your home page. http://www.yahoo.com/r/hs
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