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

Gromacs Users mailing list

* Please search the archive at before posting!

* Can't post? Read

* For (un)subscribe requests visit or send a 
mail to

Reply via email to