<html><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:12pt"><div>Dear Specialists,</div><div><br></div><div>I have a problem about computing of radius of micelle by root-mean-square-distance. Please help me.</div><div>I obtained radius of my micelle 2.4 nm by g_gyrate. <br></div><div>g_gyrate -f md.xtc -s md.tpr -o gyrate.xvg -b 150000<br>I want compare it by rms distance. <br></div><div>I use from g_rms as following:</div><div>g_rms -f md.xtc -s md.tpr -o distrmsd.xvg -n index.ndx -b 150000 </div><div>It result me 3.992290e+00 nm after averaging by g_analyze -f distrmsd.xvg -av</div><div>(the radius of a spherical micelle is defined as the rms distance of the headgroup atoms from the micelle center of mass, how should I define com of micelle in g_rms?)</div><div>I think I am wrong somewhere. <br></div><div>May I ask you to help me,Please?</div><div><br></div><div>Best
Regards</div><div>Dina<br></div></div></body></html>