[gmx-users] About grompp error. "Not enough ref_t and tau_t values."

Monique Brito moniquebrito at yahoo.com.br
Thu Jul 21 16:48:10 CEST 2005

Hi averybody!

I'm trying to run a simulations and I've been
obtained the same message in grompp:

checking input for internal consistency...
calling /lib/cpp...
processing topology...
Generated 1284 of the 1485 non-bonded parameter
Excluding 3 bonded neighbours for Protein_A 1
Excluding 3 bonded neighbours for Protein_B 1
Excluding 3 bonded neighbours for UNk 1
WARNING 1 [file "rt.top", line 39]:
  System has non-zero total charge: 3.556006e+00

processing coordinates...
double-checking input for internal consistency...
Velocities were taken from a Maxwell distribution
at 300 K
renumbering atomtypes...
converting bonded parameters...
#      BONDS:   30753
#     ANGLES:   60152
#      PDIHS:   26940
#      IDIHS:   26630
#       LJ14:   55158
initialising group options...
processing index file...
Warning: file does not end with a newline, last
7825 7826 7827 7828 7829 7830 7831 7832 7833 7834
Making dummy/rest group for T-Coupling containing
2179 elements
Fatal error: Not enough ref_t and tau_t values!

I've been reading in the gromacs users questions
that this may be a problem
with the index file, but I don't think in my case
would be that.

Is there another possibility?

Thanks in advance,

Monique Brito

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