Dear Specialists, I have a problem about computing of radius of micelle by root-mean-square-distance. Please help me. I obtained radius of my micelle 2.4 nm by g_gyrate.
g_gyrate -f md.xtc -s md.tpr -o gyrate.xvg -b 150000 I want compare it by rms distance. I use from g_rms as following: g_rms -f md.xtc -s md.tpr -o distrmsd.xvg -n index.ndx -b 150000 It result me 3.992290e+00 nm after averaging by g_analyze -f distrmsd.xvg -av (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?) I think I am wrong somewhere. May I ask you to help me,Please? Best Regards Dina
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