[gmx-users] pressure scaling warning

[giacomo de mori]

Hi all!

I'm running a simulation on a protein in water with PME, dt=0.005, 2 ions (CL-)
it crashed many time, but the last time crashed with this error:
------------------
Initializing LINear Constraint Solver
  number of constraints is 319
  average number of constraints coupled to one constraint is 2.8

   Rel. Constraint Deviation:  Max    between atoms     RMS
       Before LINCS         0.298636    166    167   0.025815
        After LINCS         0.005376     27     28   0.000467

Going to use C-settle (874 waters)
wo = 0.888096, wh =0.0559521, wohh = 18.0154, rc = 0.081665, ra = 0.00645837
rb = 0.051255, rc2 = 0.16333, rone = 1, dHH = 0.16333, dOH = 0.1
   Energies (kJ/mol)
       G96Angle    Proper Dih.  Improper Dih.          LJ-14     Coulomb-14
    4.16193e+02    3.15398e+02    1.11361e+02    8.89128e+01    4.23651e+03
        LJ (SR)   Coulomb (SR)   Coulomb (LR)      Potential    Kinetic En.
    1.07557e+04   -7.80597e+04   -1.66567e+04   -7.87923e+04    1.59899e+04
   Total Energy    Temperature Pressure (bar)
   -6.28024e+04    3.23706e+02    4.38344e+02


Step 51  Warning: pressure scaling more than 1%, mu: 6898.3 6898.3 6898.3
   Rel. Constraint Deviation:  Max    between atoms     RMS
       Before LINCS         0.298636    166    167   0.025815
        After LINCS         0.005376     27     28   0.000467

Going to use C-settle (874 waters)
wo = 0.888096, wh =0.0559521, wohh = 18.0154, rc = 0.081665, ra = 0.00645837
rb = 0.051255, rc2 = 0.16333, rone = 1, dHH = 0.16333, dOH = 0.1
   Energies (kJ/mol)
       G96Angle    Proper Dih.  Improper Dih.          LJ-14     Coulomb-14
    4.16193e+02    3.15398e+02    1.11361e+02    8.89128e+01    4.23651e+03
        LJ (SR)   Coulomb (SR)   Coulomb (LR)      Potential    Kinetic En.
    1.07557e+04   -7.80597e+04   -1.66567e+04   -7.87923e+04    1.59899e+04
   Total Energy    Temperature Pressure (bar)
   -6.28024e+04    3.23706e+02    4.38344e+02


Step 51  Warning: pressure scaling more than 1%, mu: 6898.3 6898.3 6898.3
------------

What does it means? what could i do?
thank you

Giacomo