[gmx-users] g_hbond in 4.5.4 gives wrong output

2011-04-23 Thread Bert 
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.

Bests,
Bert
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Re: [gmx-users] g_hbond in 4.5.4 gives wrong output

2011-04-23 Thread Justin A. Lemkul 



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.


-Justin


Bests,
Bert


--


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin


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