I do not have a mdin file. I have been trying to follow the tutorial for nmr refinement of a DNA duplex online.
Charlie
On Nov 3, 2011, at 12:50 PM, Ben Roberts wrote:
> Hi Charlie,
>
> On 3/11/2011, at 1:20 p.m., Charles Johnson wrote:
>
>> Attached is my anneal script.
>
> OK, it looks like you're trying to read NMR restraints (nmropt = 1), and there may be a problem in your &rst namelists. According to the instructions (see section 6.1 and following), sander will expect to find NMR restraints in the file name you give as an argument to DISANG; your mdin file (what you've called an "anneal script") says that it will look for a DISANG file called, "RST". Do you have such a file?
>
> Cheers,
> Ben
>
>
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--
Charles A. Johnson
Graduate Student
Department of Chemistry
Saint Louis University
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3501 Laclede Ave.
St. Louis, MO 63103-2010
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Email: cjohns98.slu.edu
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Received on Thu Nov 03 2011 - 11:00:04 PDT
