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

[intra\sa175950]

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 

 

Stephane 

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