[gmx-users] gromacs simulation of small molecules diffusion through lipid

Dr. WU HengAn wuha at purdue.edu
Wed Oct 6 15:29:25 CEST 2004

Dear ALL,

I am doing a preliminary simulation of small molecules
(such as benzene)through lipid bi-layer (such as DMPC or DPPC).
For someone has done it, maybe it is easy.
But I am a beginner, and my major is M.E., so I found it a little
First I even do not know the 3-D molecular structure of the lipid,
even of the benzene.

I have done some MD simulations of metals, but I find it is much

Can some help me about abvoe problems?
If you have done such simulations, could you please kindly send
the needed input files to me?

Thanks and best regards,


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