[gmx-users] Fwd: (-13.000000 Total charge should normally be an integer), Facing problem while running gromacs

kalpana kalpanadynasty at gmail.com
Mon Jun 24 07:30:21 CEST 2019

Kindly help to understand this error message becz with previous
installation with same setting files, there was no error. The error message
is as follows:

              gmx grompp -f  ions.mdp -c model1_solv.gro -p topol.top -o

              Setting the LD random seed to 31221519
              Generated 330891 of the 330891 non-bonded parameter
              Generating 1-4 interactions: fudge = 0.5
              Generated 330891 of the 330891 1-4 parameter combinations
              Excluding 3 bonded neighbours molecule type 'Protein_chain_A'
              Excluding 2 bonded neighbours molecule type 'SOL'

              NOTE 1 [file topol.top, line 60959]:
              System has non-zero total charge: -13.000000
              Total charge should normally be an integer. See
              for discussion on how close it should be to an integer.

Best regards

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