Dear AMBER user's
I want to calculate the population of water-water hydrogen bond forming in
my water simulation. For example, in my simulation box, I have a total of
1000 water molecules. Now I want to calculate the percentage of water
molecules forming only one or two or three or four hydrogen in a box.
As I know, cpptraj only print average H-bond. It is possible to print
population of hbond.
Kindly guide me, thank you in advance.
Regards
Rahman
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*M*d* H*omaidur* R**ahman *( Research Scholar )
Lab No. 510, Computational Biophysics Lab.
Department of Biotechnology
Indian Institute of Technology-Madras
Chennai-600 036, India
*Mobile No = +91- 7845991785*
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Received on Tue Feb 12 2019 - 17:30:01 PST
