Re: AMBER: How to use AMBER Parameter Database ?

From: David A. Case <case.scripps.edu>
Date: Thu, 23 Aug 2007 09:53:55 -0700

On Tue, Aug 21, 2007, Qiang Zhong wrote:

> I have a protein complex which is consist of ADP ,Ca2+ and THP. I find
> parameter file of these non-standard residue in
> http://pharmacy.man.ac.uk/amber/. But I have some problem , THP is simple,
> I just need use command:loadOff amber_thp.lib. It is ok, but ADP and Ca2+ is
> not like THP, They are .prep format. I don't know how to use it.

Use loadAmberPrep to load prep files.

...dac

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Received on Sun Aug 26 2007 - 06:07:28 PDT
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