[gmx-users] temperature

[Elena Molteni]

Dear all,
I have a strange problem in some of my simulations: the temperature during 
the simulation, as written in the md.log files and plotted using g_energy, 
is different from the one I gave in input in the parameter file (md.mdp). 
For instance, both using weak coupling with tau_t = 0.1 or 0.005 ps, and 
specifying T=298 K in md.mdp, I obtain temperature values oscillating 
around 312 K; with T=290 K --> around 306 K , but with 370 K in input I 
indeed obtain values around 370 K (again with tau_t = 0.1 ps), and all this 
on two different peptides, one in water and the other in DMSO. What can be 
the reason of such a behaviour? (and possible ways to avoid it).

Thanks in advance

Elena