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

Mehmet Suezen suzen at theochem.tu-muenchen.de
Tue Jun 18 11:19:32 CEST 2002

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)


#exclude <windows.h>

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