AMBER Archive (2005)

Subject: Re: AMBER: Protein with structural ions

From: Kara Di Giorgio (kdigiorgio_at_sbcglobal.net)
Date: Fri Apr 08 2005 - 13:55:41 CDT

Thank you for the help. I feel I can now create the RST.f file. I'm
not sure what to do with the file once it's done. How does it get
used?

Kara Di Giorgio

On Apr 8, 2005, at 10:29 AM, David A. Case wrote:

> 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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