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

2010-03-25 Thread Justin A. Lemkul
sonali dhindwal wrote: 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 i

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

2010-03-25 Thread sonali dhindwal
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