On Sun, Jan 17, 2010, Jianhui Tian wrote:
>
> Thanks for this reply. I will take a look at Cheatham's JPCB 2008 paper.
> What can I do if I dont have amber10? Is there a way to get ions08.lib and
> frcmod.ionsjb_XXXXXX? Are they compatible with amber9?
You can get the parameters either by downloading AmberTools, or by following
the "Amber force field parameter files" link at
http://ambermd.org. Parameter
files may be used with any version of Amber.
> Still I wonder how the Lennard-Jones-Acoef and Lennard-Jones-Bcoef are
> calculated. Many thanks for clarification.
A detailed explanation is part of the FAQ, also at
http://ambermd.org:
http://ambermd.org/Questions/vdwequation.pdf
...dac
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Received on Sun Jan 17 2010 - 19:30:02 PST
