[gmx-users] Regarding to find coordination number

Prithwish Nandi prithwish.nandi at ichec.ie
Tue May 21 10:24:47 CEST 2019

Write a post processing code. It’s should be very easy to implement. You just need to choose an appropriate radius.
Best, Prithwish

Dr. Prithwish K Nandi, Ph.D.
Computational Scientist
Irish Centre for High-End Computing  (ICHEC) - www.ichec.ie
7th Floor, The Tower, Trinity Technology & Enterprise Campus,
Grand Canal Quay, Dublin 2, Ireland

Tel: +353 1 5241608 ext. 22

> On 21 May 2019, at 07:12, Omkar Singh <omkantnirala92 at gmail.com> wrote:
> Dear Experts,
> I performed a protein-water  simulation  in gromacs 2018.4. Now i am
> concentrating to find the coordination number of Oxygen atom  of water
> molecule in whole system. Kindly help me to solve this problem.
> Thanks
> -- 
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