[gmx-users] Re: About grompp problem: Not enough ref_t and ref_p values

[VISWANADHA SRIDHARA]

Your tc-grps have 2 groups but tau_t and ref_t have 3 values each, make
sure there are 2 for each.
tau_t = 0.1 0.1
ref_t = 300 300...


On 7/21/05, Monique Brito <moniquebrito at yahoo.com.br> wrote:

    Hi!

    I've added a newline at the end of the indexfile,
    then the warning have vanished.
    And the problem with fatal error is the same.

#####################################################################
checking input for internal consistency...
calling /lib/cpp...
processing topology...
Generated 1284 of the 1485 non-bonded parameter
combinations
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...
Making dummy/rest group for T-Coupling containing
2179 elements.
    What can I do?