Temperature coupling in Gromacs membrane tutorials

User discussions
1

GROMACS version: 2024.2
GROMACS modification: Yes/No
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I have heard that temperature coupling is done separately for multiple sub-groups.
For example;

tcoupl                  = berendsen
tc_grps                 = SOLU MEMB SOLV
tau_t                   = 1.0 1.0 1.0
ref_t                   = 303.15 303.15 303.15

However, in the Gromacs tutorials found on https://tutorials.gromacs.org/membrane-protein.html, temperature coupling have been done in this way,

;;Temperature coupling 
tcoupl                  = v-rescale   ; Modified version of Berendsen thermostat, Temperature coupling using velocity rescaling with a stochastic term 
tc_grps                 = SYSTEM      ; Coupling groups 
tau_t                   = 1.0         ; Time constant [ps]
ref_t                   = 300         ; Reference temperature [K]

I know that V-rescale is better than Berendsen.
However, is it accurate enough to couple the whole system into one group with even V-rescale thermostat? Would this be accepted in the publication level?

2

There is no reason to couple groups separately. And don’t use Berendsen; it’s provably invalid as far as maintaining a canonical ensemble.