[gmx-users] Re. genbox -shell

Mark Abraham Mark.Abraham at anu.edu.au
Thu Dec 15 22:04:37 CET 2005

Dongsheng Zhang wrote:
> Dear David,
> I am confused by your reply. In your tutorial, you use
> editconf .. -c -d 0.5
> Now I am using -d 1.0, and 1.0 nm = 10 A, I don't understand why you
> think the box is too small.

A pertinent question is whether your shell is large enough to model 
long-range electrostatics reasonably. I suspect you'd have a heavy 
majority of people in this decade thinking that 1.0nm is not enough.


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