AMBER Archive (2009)

Subject: [AMBER] 8Mureabox

From: anna berteotti (annaberte_at_hotmail.com)
Date: Mon Mar 09 2009 - 05:07:52 CDT

Dear Amber users,

I'm trying to use the 8Mureabox.off in order to
simulate protein-urea interaction.
I can't understand which are the parameters
used for urea molecules from the 8Mureabox.off file.
I was wondering if there's a possibility to extract
from it a sort of prepin file for just one urea molecule,
or if there's somewhere a file with the topology and
parameter for one urea molecule.
Infact I would also need to create a different, in
terms of boxwith, 8Mureabox but I need to create
a file with the Amberparams.

Thank you very much,

Anna

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