<html><body><div style="font-family: times new roman, new york, times, serif; font-size: 12pt; color: #000000"><div>Hello all,<br><div><br></div><div>I am using RMCProfile to disorder an hydromagnesite crystalline structure, running the program without any data file. I would like to know if is there any way to make the program write also the S(Q) in the file ".out" in addition to the partials g(r).</div><div><br></div><div>Also, I have configured the section POTENTIALS of the file ".dat" as follows:</div><div><br></div><div> POTENTIALS ::<br> > STRETCH :: C O 4.0 eV 1.29 Ang<br> > STRETCH_SEARCH :: 10%<br> > ANGLE :: C O O 4.0 eV 120.0 deg 1.29 1.29 Ang<br> > ANGLE_SEARCH :: 20 deg<br> > TEMPERATURE :: 295 K</div><div><br></div><div>Does the restriction to stretch the distance with a margin of a 10% affects also to the distances introduced in the ANGLE configuration? In other words: is RMCProfile going to apply the angle restraint if the C-O distance is, for example, 1.30Ang instead of 1.29Ang?</div><div><br></div><div>Thanks in advance,</div>Hugo.</div></div></body></html>