[gmx-users] number of opposition ions

Mark Abraham Mark.Abraham at anu.edu.au
Sun Oct 18 09:28:45 CEST 2009


leila karami wrote:
> Dear Mark Abraham
>  
> you said me For neutralization of system and understanding the number of 
> ions with opposition  (pr + dna), pdb2gmx or grompp will probably report 
> net charges if non-zero.
>  
> what file exactly reports net charge?

The on-screen output. Do read it - it's useful. :-)

Mark



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