I’m going to simulate an experiment in which evolution of lipid aggregation on an oleic/aqueous interface is recorded kinetically.
Is it possible to capture kinetical features of such macroscopic phenomena through MD simulation?
If yes, how? Is there any restriction?
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Hi Robert, if you are trying to reproduce an existing experiment, can you get an estimate of the time scale of the process?
A minimal system size for lipid aggregation would be at the very least in the tens of thousands of atoms, for which getting more than a few microseconds of sampling time is quite hard.