[gmx-developers] g_hbond -shell option

Thomas Evangelidis tevang3 at gmail.com
Thu Oct 2 18:06:38 CEST 2014

Dear GROMACS developers,

Does anyone know if the g_hbond -shell option is fixed in the latest GMX
tools version? Do you also know if the selection of atoms within the shell
is updated in every frame? I did a few tests with GMX Tools v4.6 and didn't
see any change in the acceptors and donors when I used the same starting
point and cutoff, but different trajectory lengths.




Thomas Evangelidis

PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
157 71 Athens

email: tevang at pharm.uoa.gr

          tevang3 at gmail.com

website: https://sites.google.com/site/thomasevangelidishomepage/


*Physics is the only real science. The rest are just stamp collecting.*

*- Ernest Rutherford*
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