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I am trying to find whether 2 residues are making H-bond in the trajectory or not. I am selecting Threonine OG1 group and OD1 group of Aspartate but i am getting an error “Found 0 donors and 2 acceptors”.
The donor group needs to include the H atom itself, e.g. HG1 of Thr.
Did that but the error said " Found 0 donors and 1 acceptors"
I am trying one more thing where instead of selecting the specific atom i have selected the whole residue. is there a way where I can get the list of acceptor donor pair in the selection.
i have tried the -o command but i keep getting error " Unknown command-line option -o"