I've been searching through the Gromacs files, site etc looking to see if anyone has used charged lipids in a simulation and can't find any evidence of this. I don't see any reason why this should be impossible to do, granted there'll need to be a fair few counterions, but I'm not intending to do a pure bilayer, just dope the existing one with a few negative charges. And a high concentration of ions near the membrane is not entirely unrealistic, I believe. So does anyone know of any gromacs stuff using negative lipids, or alternatively a reason why this hasn't been done? Thanks, Alan Dodd University of Bristol
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