[gmx-users] temperature coupling
ruiqiao at ews.uiuc.edu
Thu Jan 10 18:53:54 CET 2002
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.
Beckman Institute, UIUC
More information about the gromacs.org_gmx-users