Dear gromacs users I was trying to count waters involved in the interface between Protein_A and Protein_B.
I made a selection.dat file as follows: waterO = group SOL and name OW; heavy1 = group Protein_A and group "Protein-H"; heavy2 = group Protein_B and group "Protein-H"; inter = waterO and within 0.35 of heavy1 and within 0.35 of heavy2; is my selection.dat file true? I used g_select -f .xtc -s .tpr -n .ndx -os -oc -oi -om -on -sf selection.dat but gromacs: Nothing selected, finishing up. when I used g_select -f .xtc -s .tpr -n .ndx -os -oc -oi -om -on -sf selection.dat -select, what should be put in front of -select to avoid Nothing selected, finishing up?
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