[gmx-users] g_dist
dina dusti
dinadusti at yahoo.com
Tue Jan 31 15:05:24 CET 2012
Dear Gromacs specialists,
Can you help me about g_dist?
I have a micelle system, I want to obtain distance between center of mass of micelle with the last of carbon bounded to head group in surfactant.
It should be near 2.2 but when I did "g_dist -f md.xtc -s md.tpr -b 150000 -o dist.xvg" and then selected micelle and the last carbon bounded to head group, respectively , and next did "g_analyze -f dist.xvg -av" it give me :
std. dev. relative deviation of
standard --------- cumulants from those of
set average deviation sqrt(n-1) a Gaussian distribition
cum. 3 cum. 4
SS1 5.324286e-02 2.182349e-02 3.984406e-04 0.287 0.064
SS2 -2.000683e-04 3.327947e-02 6.075972e-04 0.045 -0.036
SS3 -6.405102e-04 3.270624e-02 5.971315e-04 0.001 -0.052
SS4 -2.777796e-04 3.366480e-02 6.146323e-04 0.016 -0.013
What should I do for obtain correct distance?
Best Regards
Dina
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