Re: [AMBER] sander error

From: Charles Johnson <cjohns98.slu.edu>
Date: Thu, 3 Nov 2011 13:11:51 -0500

The command LISTIN=POUT is in my aneal.in file. But attached is my RST file. The .ann.out file only has the anneal script in it and no restraints.

Thanks,
Charlie



On Nov 3, 2011, at 1:06 PM, David A Case wrote:

> On Thu, Nov 03, 2011, Charles Johnson wrote:
>> Attached is my anneal script.
>
> We need to see the file named "RST". You may be able to solve this yourself
> by adding LISTIN=POUT to the end of your mdin file; that will give you a
> detailed dump of what restraints were read in. The error in the RST file will
> probably be the restraint right after the last one printed in the output file.
>
> ....dac
>
>
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-- 
Charles A. Johnson
Graduate Student
Department of Chemistry
Saint Louis University
Monsanto Hall 214
3501 Laclede Ave.
St. Louis, MO  63103-2010
Fax: (314) 977-2521
Email: cjohns98.slu.edu


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Received on Thu Nov 03 2011 - 11:30:05 PDT
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