[gmx-users] g_hbond

[Mr Bernard Ramos]

Hi everyone!

I have some questions on g_hbond. According to Manual 4.5.4, hydrogen-bonds are counted/determined by g_hbond based on angle and distance cut-offs. The distance cut-off is based on the acceptor-donor distance. However, the online manual says that the distance is based on Hydrogen - Acceptor distance? The link to the online manual is as follows: 

http://manual.gromacs.org/online/g_hbond.html


I am using Gromacs 4.5.3. I found out that g_hbond does not give the correct counts due to a bug

http://lists.gromacs.org/pipermail/gmx-users/2011-May/061249.html


I am fairly new to using Gromacs with limited knowledge in programming. How do I get this bug fixed with my current version? How can I patch the fix suggested above?

The other question will be. Does the most recent version has the g_hbond fixed? I use Gromacs via Cygwin. Just in case I install the the new version, I would like to keep my old one. Is it ok, or do I have remove it?

Thanks.    

Bernard
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