AMBER Archive (2007)

Subject: Re:AMBER: AMBER parametrization (??) for OAA and Mg++

From: Qiang Zhong (zqiang320_at_webmail.hzau.edu.cn)
Date: Tue Sep 11 2007 - 02:32:17 CDT


you can down load them from:
http://pharmacy.man.ac.uk/amber/
and then use follow command update them:
loadAmberParams ./prm/ADP.dat
loadAmberPrep ./prm/ADP.in

在您的来信中曾经提到:
>From: Eduardo Mendez <pckboy_at_gmail.com>
>Reply-To: amber_at_scripps.edu
>To: amber_at_scripps.edu
>Subject: AMBER: AMBER parametrization (??) for OAA and Mg++
>Date:Mon, 10 Sep 2007 22:39:43 -0600
>
>Greetings!
>
> I was wondering if someone can share parameters for the Mg2+ ion, and
> for Oxalate anion (OAA) ?
> I looked at http://pharmacy.man.ac.uk/amber/ and could not find those in
> there :(
>
> Also I noticed the parameter files in that website are set according to
> the amber94 force field, does anyone know where I
> can find parametrization files in agreement with the ff03 forcefield? I
> am specifically looking for ATP, GTP, ADP and GDP
>
> Thanks for the help
>
> Eduardo Mendez
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