Hi Gmxers,
I used g_dist to find all water molecules within 5 Angstrom of a protein in a
trajectory with a little surprise that gromacs directly prints out those water
on my screen rather than in an output file.
Since in each frame, those water molecules are not the same, I realize I need
to make a dynamic index or indices for them.
However I do not see any flag I could possibly introduce those water in
g_select and then use -on flag to produce a dynamic index.
Anyone has met this before?
Thanks,
Yao
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