[gmx-users] Regarding indexing to calculate hydrogen bond autocorrelation function
Dilip H N
cy16f01.dilip at nitk.edu.in
Wed Jul 26 19:59:48 CEST 2017
yes thn how can i index the groups (say i want to calculate hbond b/w NH of
glycine and O of water)...
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On Wed, Jul 26, 2017 at 10:56 PM, Erik Marklund <erik.marklund at kemi.uu.se>
> 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,
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With Best Regards,
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