<div dir="ltr"><div><div>Hi All,<br><br></div>I am trying to use RMCProfile to fit
large molecular dynamics models of amorphous carbon to neutron PDF data.
I can work with models up to 10,000 atoms no problem, but when i get
larger than that data2config systematically changes the X position of
some of the atoms to 0 in the rmc6f file. I cannot find any
documentation of the maximum size of RMCProfile or data2config, but i
was under the impression that the limit was much larger than 10,000
atoms. Does anyone have experience with this problem and know how to
work around it? I have attached as CIF file and the rmc6f file as an
example of my problem.<br><br></div>Best,<div><div class="gmail_signature"><div dir="ltr"><div><br>T. Wesley Surta<br>Graduate Student<br><a href="http://dolgosgroup.chem.oregonstate.edu/" target="_blank">Dolgos Group</a><br>Department of Chemistry<br>Oregon State University<br><a href="mailto:surtat@onid.orst.edu" target="_blank">surtat@onid.orst.edu</a><a href="mailto:surtat@onid.orst.edu" target="_blank"></a></div></div></div></div>
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