[gmx-users] Overall charge -0.0002

Bratin Kumar Das 177cy500.bratin at nitk.edu.in
Wed Jun 26 05:52:56 CEST 2019

   In a amino acid water simulation the grompp is trowing one
NOTE 2 [file topol.top, line 27]:
  System has non-zero total charge: -0.000200
  Total charge should normally be an integer. See
  for discussion on how close it should be to an integer.

WARNING 1 [file topol.top, line 27]:
  You are using Ewald electrostatics in a system with net charge. This can
  lead to severe artifacts, such as ions moving into regions with low
  dielectric, due to the uniform background charge. We suggest to
  neutralize your system with counter ions, possibly in combination with a
  physiological salt concentration.

In this case..is it suitable to use -maxwarn option in grompp.

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