[gmx-users] Comparison of hydrogen bond number

[OZGE ENGIN]

Hi,
 
I could not understand a point related to the calculation of hydrogen bond numbers.  In order to be sure, I wrote a script in which the hydrogen bond numbers were calculated during the whole trajectory. Firstly, I used the 30.0 degrees and 0.35 nm criteria, and I compared the results of two: The numbers were the same. After that, I tried the 60.0 and 0.35 nm criteria, but this time, the numbers were not the same.
What is the problem? I am so confused. 
 
Thanks in advance
 
Özge ENGİN
Department of Computational Science and Engineering
Koc University, Istanbul