[gmx-users] temperature coupling

[Rui Qiao]

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
says:
	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.

	sincerely,

	Rui

------------------------
Rui Qiao
Research Assistant
Beckman Institute, UIUC