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

Hi Chris, Druz Thank you very much for your reply. Indeed I have read several papers where the diffusion of water at the membrane surface have been computed. Since the diffusion of the interfacial water is an useful properties to examine the micelle/surface irregularities, I would hope that

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

Well, the positive way of looking at this is that it appears that nobody has ever done it before. If somebody has done it (in charmm for instance) then you might be able to convert the format of your .xtc and use their tools to analyze it. Good luck, Chris. -- original message -- Thank

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

When people do this for lipid bilayers, they compute depth-dependent diffusion profiles (often diffusion is computed separately for lateral diffusion and diffusion along the bilayer normal). Sounds like you might do something similar. I doubt that the standard gromacs tools will do this

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

On Sat, Nov 26, 2011 at 11:17 PM, chris.ne...@utoronto.ca wrote: When people do this for lipid bilayers, they compute depth-dependent diffusion profiles (often diffusion is computed separately for lateral diffusion and diffusion along the bilayer normal). Sounds like you might do something