[gmx-users] Regarding to find coordination number
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.
Dr. Prithwish K Nandi, Ph.D.
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.
> Gromacs Users mailing list
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users