Utkarsh Chauhan
Utkarsh Chauhan
i want to work on this issue
I want to do this work.Please assign this to me
Please assign this issue to me.I want to do this
Ok thankyou sir for this reply On Mon, Nov 2, 2020 at 7:04 PM Willem wrote: > We don't assign issues to someone, you can just start working on the...
Please assign this issue to me.I want to do this
can u tell me the link of testing code
Hi so i read the HydrogenBondAnalysis code and find this piece of code using selection string import MDAnalysis from MDAnalysis.analysis.hydrogenbonds.hbond_analysis import HydrogenBondAnalysis as HBA u = MDAnalysis.Universe(psf, trajectory) hbonds =...
> @utkarsh147-del the `select_atoms` function selects the specified atoms, while the `hbonds.guess_hydrogens` and `hbonds.guess_acceptors` functions guess which hydrogen atoms and which acceptor atoms should be used in the hydrogen bond...