[gmx-users] g_hbond in 4.5.4 gives wrong output

Justin A. Lemkul jalemkul at vt.edu
Sun Apr 24 01:25:26 CEST 2011

Bert wrote:
> Dear all,
> g_hbond of gromacs4.0.7 and 4.5.4 gives different outputs in average
> hbond number. Is there any fix to g_hbond of 4.5.4? Any suggestions
> are appreciated.

This is a known bug and is present (as far as I know) in all 4.5.x versions. 
There is no fix yet.


> Bests,
> Bert


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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