[gmx-users] 1. better tool: g_hbond or trjorder 2. g_energy: specific heat and compressibility

[Frankie Montenegro]

I am not sure what I'm missing here. I just ran an example from
/tutor/water and got even worse
number for specific heat, around 12.5 J/mol.K. Sure, it was with
Berendsen T-coupling, no shifted VdW, but one would still expect
better number.  Anyone?
Thanks, Frankie