Sang-Min Park wrote:
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 ?
If your peptide has only a handful of atoms, this might even be normal.
Better description of your peptide and the contents of your .mdp file
might have been useful in your description :-)
Mark
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