Hi ALL, I am simulating a membrane protein immersed in a POPC bilayer using CHARMM36 FF in GROMACS 4.5.5. In NVT and NPT (i.e. in equilibration and production runs) should I use the dispersion correction or not (as suggested in some previous posts)? And if NOT using dispersion correction, then should I use "vdwtype" as "switch"? Any suggestion is welcome.
Regards, Anirban
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