[gmx-users] hbond error

Chiara Parravicini chiara.parravicini at guest.unimi.it
Thu Feb 16 13:01:25 CET 2017

Dear Gmx users,

using GROMACS version 2016.1, I found the following error in the output of the gmx hbond routine: when computed from different groups, where one is a subset of the other one, hbonds from the same acceptor/donor pair do not match.

I known that this error has been already widely discussed in previous gromacs versions. Is there any solution?



Chiara Parravicini, PhD 
Laboratorio di Biochimica e Biofisica Computazionale 
Dipartimento di Scienze Farmacologiche e Biomolecolari 
Università degli Studi di Milano 
Via Balzaretti 9, 
20133 Milano, Italy 
Tel: +39 02-503-18256/18355 
Fax: +39 02-503-18284

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