[gmx-users] g_hbond simple question

2011-08-22 Thread Yao Yao
Hi Guys,

I am using g_hbond to analyze hbond between two groups. The manual says All 
hydrogen bonds between the two groups are analyzed.
Does that mean even those hbonds do not hbond to neither of the two groups are 
still under consideration?

Thanks,

Yao
-- 
gmx-users mailing listgmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists

Re: [gmx-users] g_hbond simple question

2011-08-22 Thread Justin A. Lemkul



Yao Yao wrote:

Hi Guys,

I am using g_hbond to analyze hbond between two groups. The manual says 
All hydrogen bonds between the two groups are analyzed.
Does that mean even those hbonds do not hbond to neither of the two 
groups are still under consideration?




If it doesn't form a hydrogen bond, then it's not a hydrogen bond.  A hydrogen 
bond is defined by the criteria described in the manual.  If those criteria are 
not satisfied, the group does not form a hydrogen bond with whatever other group 
is examined at that time.


-Justin

--


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


--
gmx-users mailing listgmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at 
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the 
www interface or send it to gmx-users-requ...@gromacs.org.

Can't post? Read http://www.gromacs.org/Support/Mailing_Lists