[gmx-users] translational diffusion of the water at the micelle surface

intra\sa175950 stephane.abel at cea.fr
Fri Nov 25 16:39:21 CET 2011

Hi everybody, 


I would like to compute the translational diffusion around the micelle
surface. I know that I can select the water molecules at x distance of the
micelle surface with g_select (right ?) but how to use this file generated
by g_select to compute de diffusion, since the index and/or the number of
water will change with the simulation time . 


Thank you for your response 



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