Dear gmx-users: I made a lipid bilayer fully hydrated by water,without water in the lipid hydrophobic tails.Then I minimized the energy to Fmax=132.5,then I ran NVT md for 200ps.However when I wanted to run NPT simulation, the pressure fluctuation was as high as 1.33*10E+05,it crashed very easily. Does anyone know how to deal with large pressure fluctuation?I tried to enlarge tp,however,it was of no use.
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