Regarding code in MDAnalysis to calculate hydrogen bond autocorrelation function/HBond lifetime-intermittent and continuous
Dilip H N
Hello,
I have done a MD simulation of glycine and water mixture as an example in gromacs, and now i need to calculate the hydrogen bond auto correlation function (HBond lifetime-intermittent and continuous).
I searched the program/code for HBond autocorrelation function of the following links, but i am not able to find out which is the right code to calculate the HBond auto correlation function - intermittent and continuous.
1] http://www.mdanalysis.org/mdanalysis/documentation_pages/analysis/waterdynamics.html#id2
2] http://www.mdanalysis.org/mdanalysis/documentation_pages/analysis/hbond_autocorrel.html
3] http://www.mdanalysis.org/mdanalysis/_modules/MDAnalysis/analysis/hbonds/hbond_autocorrel.html
which code in the following pages are the correct code in MDAnalysis library to write the code to calculate HBond auto correlation function - intermittent and continuous. ...
Can anybody help me regarding this....??
Thank you...
