[gmx-users] total charge of the system

Thu Jul 10 21:16:02 CEST 2008

Dear all,

In one of my simulations, total charge of the system is a noninteger number (like +15.996). I neutralized it with 16 chlorine atoms. I am using periodic boundary conditions. If I use the charge as it is, is it means infinite negative total charge on the system?

Actually, when I check the simulation output parameters, it seems every thing okay..I am just curious if it's some thing wrong..

Serdar

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