Re: [gmx-users] epsion_surface

2009-07-08 Thread Mark Abraham 

lammps lammps wrote:

Hi,

I do not know why the manual give a note about the parameter of 
epsion_surface : Be careful - you shouldn’t use this if you have free 
mobile charges in your system. WHY?


Could some kind people give me an explanation or some references?


You need to read some of the original Ewald papers. Follow references 
from the PME papers referenced in the manual.


Mark
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[gmx-users] epsion_surface

2009-07-08 Thread lammps lammps 
 Hi,

I do not know why the manual give a note about the parameter of
epsion_surface : Be careful - you shouldn’t use this if you have free mobile
charges in your system. WHY?

Could some kind people give me an explanation or some references?

Thanks in advance.
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