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<div class="moz-cite-prefix">On 11/28/13 15:46, Levi M Mitze wrote:<br>
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Could you clarify the differences between the default operation
of the program and the non-default operation? What options need
be specified by the nmr.in file for non-default operation
exactly? How should the user specify whether the desired run is
default or otherwise?<br>
<br>
Levi<br>
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<font face="serif">If it is "non default" then basically you have
all of the options from your old program with the addition of
fourier filtering and adaptive legendre quadrature.<br>
<br>
As mentioned in the program description, if the name of the data
file in the nmr.in file is nmr.dat, then it is assumed that the
program is running in "default mode".<br>
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<pre class="moz-signature" cols="72">--
Andrew J. Pounds, Ph.D. (<a class="moz-txt-link-abbreviated" href="mailto:pounds_aj@mercer.edu">pounds_aj@mercer.edu</a>)
Professor of Chemistry and Computer Science
Mercer University, Macon, GA 31207 (478) 301-5627
<a class="moz-txt-link-freetext" href="http://faculty.mercer.edu/pounds_aj">http://faculty.mercer.edu/pounds_aj</a>
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