Re: AMBER: Protein with structural ions

From: David A. Case <case.scripps.edu>
Date: Fri, 8 Apr 2005 10:29:44 -0700

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

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Fri Apr 08 2005 - 18:53:00 PDT
Custom Search