[gmx-users] pair correlation function pbc=0?

[Mehmet Suezen]

Nguyen Hoang wrote:
> Dear Mehmet,
> 
> In general, the difference in the algorithms is in the calculation of the
> distance between two atoms before sorting into the histograms. The
> following are the codes to compute the distance (considering the cubic
> box):

Dear Phuong ,

Thanks for your answer. Another consideration would be how to treat
normalization factor
for g(r) in non-periodic systems? (where in pbc it is 4*Pi*r)

Cheers,Mehmet

#exclude <windows.h>