[gmx-users] Regarding indexing to calculate hydrogen bond autocorrelation function

[Erik Marklund]

On 26 Jul 2017, at 19:04, Dilip H N <cy16f01.dilip at nitk.edu.in<mailto:cy16f01.dilip at nitk.edu.in>> wrote:

but i dont have any OH or NH groups in glycine,water mixture...

Your water is packed with OH, and glycine has both NH and OH.

Kind regards,
Erik