[gmx-users] temperature coupling

Rui Qiao ruiqiao at ews.uiuc.edu
Thu Jan 10 18:53:54 CET 2002

Hi, all:
	I am trying a simulation where I need to keep temperature of some
molecular to be 300K while I would  like the rest of the system just be
there, I mean no thermo-stat for these molecular. 
	In the mdp file I apply thermo-stat for the first group of
molecular and do not say anything about the rest of system, then an error
	Making dummy/rest group for T-Coupling containing 288 elements
	Fatal error: Not enough ref_t and tau_t values!
	Does this means that I need to have thermo-stat for each group in
the system? If this is the case, are there some workaround methods?

	Thanks a lot.



Rui Qiao
Research Assistant
Beckman Institute, UIUC

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