[gmx-users] How to countting Hbonds lifetime

2011-02-24 Thread gromacs564 
Hi Erik and Justin

   Thanks for your reply. I want to obtain the HBond's  permanence time.May be 
it's occupancies that you said.
So,could you send me the script?
   Thank you very much.
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Re: [gmx-users] How to countting Hbonds lifetime

2011-02-24 Thread Justin A. Lemkul 



gromacs564 wrote:

Hi Erik and Justin

   Thanks for your reply. I want to obtain the HBond's  permanence 
time.May be it's occupancies that you said.

So,could you send me the script?


The output you posted before suggested you were using my script for occupancy. 
Is this not the case?


Hydrogen bond lifetime can be computed with g_hbond, as Erik said before.

-Justin


   Thank you very much.




--


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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