Water passing through bilayer. #15
XuyangTsin
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Hello,
Thank you for the work and wonderful tools you developed for the forcefield.
I am trying to use the MARTINI 3 lipids to test the bilayer systems.
I build a system with DPPC/DIPC/CHOL = 5/3/2, using the insane script.
The simulation process well, but one thing I notice is that there are some waters leaking through the bilayer, which should not be a good case?
I am using GROMACS/2020.4, with standard mdp options you suggested.
MD.txt
NPT3.txt
Did you face similar situations before? Or anything I missed for the setup?
If you need more details on the simulation, please let me know.
Thank you!
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