[gmx-users] List of H-bond donors and acceptors

Dallas Warren dallas.warren at monash.edu
Mon Jun 3 00:51:25 CEST 2019


May be:
-hbn -hbm ?

Though may be not reading it further, as it is over entire trajectory.
You might have to use these one frame at a time to get what you want.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
When the only tool you own is a hammer, every problem begins to resemble a nail.

On Mon, 3 Jun 2019 at 08:43, Neena Susan Eappen
<neena.susaneappen at mail.utoronto.ca> wrote:
> Hello gromacs users,
> gmx hbond only gives me number of Hbonds as a function of trajectory time, is there a way to get a specific list of donors and acceptors as a function of time?
> Thank you,
> Neena
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