Hi David Mobley,
could you please clarify your "Nose-Hoover defect" comment or ref it please?
Also, somehow I missed it.. what others do you agree with? Are you
referring to comment of berk Hess? If so, then Berk: are you
suggesting that multiple tc_grps here is inappropriate? Why so?
I agree with others that you should be using sd (Langevin). This is
the only thermostat currently in GROMACS that actually gives you the
correct distribution of kinetic energies without other known defects
(Nose-Hoover has known defects, for example)
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