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

Erik Marklund erik.marklund at kemi.uu.se
Wed Jul 26 19:27:01 CEST 2017

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,

More information about the gromacs.org_gmx-users mailing list