[gmx-users] Warning: pressure scaling more than 1%, mu: 58.1548 58.1548 58.1548 Received the TERM signal, stopping at the next NS step

Lakshmi lpgoldi11 at gmail.com
Thu Mar 27 07:37:26 CET 2014


Respected Sir,
                   I am working with gromacs and i have got a warning as
shown below.Can you please suggest me what to do, to run my file
completely.Please reply as soon as possible.Awaiting your suggestions.


           Step           Time         Lambda
              0        0.00000        0.00000

   Energies (kJ/mol)
       G96Angle    Proper Dih.  Improper Dih.          LJ-14     Coulomb-14
    1.03693e+03    9.37838e+02    1.75330e+02    1.49262e+03    1.26876e+04
        LJ (SR)        LJ (LR)   Coulomb (SR)   Coulomb (LR)       RF excl.
    4.90866e+06   -4.76268e+03   -1.13536e+06    6.29348e+03   -9.65761e+03
      Potential    Kinetic En.   Total Energy    Temperature Pressure (bar)
    3.78150e+06    2.48247e+10    2.48284e+10    4.18046e+07    3.81032e+08
   Constr. rmsd
    3.57946e+01


Step 1  Warning: pressure scaling more than 1%, mu: 58.1548 58.1548 58.1548


Received the TERM signal, stopping at the next NS step








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