[gmx-users] different ref_t

Sebastian Waltz sebastian.waltz at physik.uni-freiburg.de
Tue Jun 29 15:45:16 CEST 2010

I try to simulate a small peptide in CHCl3 there the
peptide is couplet to a heat bath at a different

tcoupl              =  nose-hoover
tc-grps             =  Protein+PTS+AIC CHCl3
tau_t               =  0.01 0.01 
ref_t               =  220  300

If I do so the temperature of the CHCl3 molecules drop down
to almost 0K and the temperature of the peptide increases
significantly. Has someone any experience with such a
system and can give me a hint what to do? 

Thanks a lot  

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