[gmx-users] How does GROAMCS handle PME with non-zero charge

[Mark Abraham]

Himanshu Khandelia wrote:
> Hi,
> 
> How does GROMACS handle PME calculations if the system has non-zero charge. Does it automatically apply a neutralizing charge density ?

A little searching with Google would have found you the answers... 
http://www.gromacs.org/pipermail/gmx-users/2004-May/010509.html 
http://wiki.gromacs.org/index.php/Errors#System_has_non-zero_total_charge

Mark