[gmx-users] spherical box

Erik Lindahl lindahl at stanford.edu
Thu Jun 5 10:08:01 CEST 2003


No, that's a physical impossibility since there is no crystal class 
with spherical symmetry.

Perhaps you're thinking of 'droplet' boundary conditions, but they are 
really falling out of popularity compared to accurate Ewald summation 
in periodic boxes. We've never bothered to implement it for that 
reason, and I doubt we will in the future (it's not difficult for 
somebody else to do, though).



On Wednesday, June 4, 2003, at 09:29  PM, s8026264 wrote:

> Dear All
> Can Gromacs generate spherical box ?
> Cheers
> Mojtaba Alaei
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