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