We did some MD based simulations of AOT reverse micelles. Unfortunately, I do not have the .gro or .pdb files. You may want to contact Branka Landanyi (also here on Researchgate) who did the MD simulations. She may be able to help you.

Dear Stephane,

Thanks for providing me AOT structure. We used to do gaussian calculation  and time resolved spectroscopy, recently we done a some work on synthesis of AgNPs in AOT RM and how the environment of RM perturb when nano particle generated in its core by experimentally doing photophysical study. So, now our aim is how a dye molecule behave in AOT RMs. Lots of work experimently done on this topic to understand the dynamics of RMs assembly but very less work done on perturbation of RMs interface by NPs theoretically. So we would like to have your advice, how should we progress.