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

[Dilip H N]

yes thn how can i index the groups (say i want to calculate hbond b/w NH of
glycine and O of water)...
with commands...



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On Wed, Jul 26, 2017 at 10:56 PM, Erik Marklund <erik.marklund at kemi.uu.se>
wrote:

>
>
> 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
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-- 
With Best Regards,

DILIP.H.N
Ph.D Student