[gmx-users] query regarding neutralisation of charge on protein

sonali dhindwal sonali11dhindwal at yahoo.co.in
Thu Mar 25 12:13:49 CET 2010

Hello All,
I am trying to do MD on my modelled protein and when I ran pdb2gmx command, it is showing that
Total charge -12.000 e

now I read in the tutorial that when there is a total charge, then we have to neutralise that charge by adding ions, but in my case it is in negative (what the output is showing). So what should I do ?
Please help
Sonali Dhindwal

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