[gmx-users] too_low_temperature

Sang-Min Park sanni at theochem.uni-frankfurt.de
Mon Apr 6 22:21:10 CEST 2009

Dear all,

I have a solvent (SW-water 519 molecules) and solute (NMA-peptide) system, 
whereby I coupled both of them seperately to a heath bath (Berendson , 
t=0.1 ps).

Both heat baths have different T's, Solvent T=300K and Solute T=500K.

The strange thing is that the temperature (g_energy) of the NMA peptide is 
located around a plateau value of ~ 460 K.

Can anybody give me some hint about what is going on ?

or can anybody give me some references ?

Thank you for your time

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