Hello, I am a bit confused by a comment which I find in all MARTINI example md.mdp scripts concerning the tc-groups :
It is stated there to couple groups separately: << MARTINI -Normal temperature and pressure coupling schemes can be used. It ; is recommended to couple individual groups in your system seperately>> I am simulating a mixed dppc:dppg membrane (see below my parameters). Even these two different lipids-types should be coupled separately? (and how about Na+ (Qd particles) and water - also separately?) I would greatly appreciate any comment on this issue. Thanks a lot Markus my parameter: ; Temperature coupling: tcoupl = berendsen ; Groups to couple separately: tc-grps = DPPC DPPG W NAA Protein
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