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Tuccinardi T, Martinelli A, Nuti E, Carelli P, Balzano F, Uccello-Barretta G, Murphy G, Rossello A. Bioorg. Med. Chem. 2006 14(12), 4260-4276Or 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
Dear amber users,HiI 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 regardsTghdir
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-- **-**-**-**-**-**-**-**-**-**-**-**-** 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.scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu Received on Sun Dec 09 2007 - 06:07:06 PST