subject:"\[gmx\-users\] Regarding python program\/code for Hydrogen bond lifetime"

Re: [gmx-users] Regarding python program/code for Hydrogen bond lifetime

2017-05-30 Thread Nikhil Maroli

Hi, I suggest you use MDAnalysis package, in which built in Python code is available. -- Regards, Nikhil Maroli -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Su

Re: [gmx-users] Regarding python program/code for Hydrogen bond lifetime

2017-05-30 Thread Dilip H N

Because in the command gmx h_bond it is not calculating Continuous hydrogen bond correlation function Sent with Mailtrack On Tue, May 30, 2017 at 10:58 PM, Dilip H

[gmx-users] Regarding python program/code for Hydrogen bond lifetime

2017-05-30 Thread Dilip H N

I have ran a simulation and extracted the trajectory for t=0.5 ps each in gromacs. The trajectory file is as follows.. Generated by trjconv : Glycine-Ammonia-Water t= 0.500 28SOL OW 115 1.586 0.579 1.240 28SOLHW1 116 1.520 0.524 1.293 28SOLHW2 117 1.645 0.519 1.