AMBER Archive (2005)

Subject: Re: AMBER: Protein with structural ions

From: David A. Case (case_at_scripps.edu)
Date: Fri Apr 08 2005 - 12:29:44 CDT

On Fri, Apr 08, 2005, Kara Di Giorgio wrote:

> Do you know of any examples I can look at? A problem I have with the
> Amber manual is that, although I understand the individual parts
> described, I don't always understand how to put everything together
> (the format). How is the &rst namelist formatted? How do you
> incorporate this into your sander command?

There are examples on pp. 169-170 of the Users' Manual. Also, look in the
"nmr" and "rdc" subdirectories under $AMBERHOME/test. And don't neglect trial
and error as a way of figuring out what is going on.

...dac

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