Dear friends, I have pulled a ligand through the channel. Here i kept one residue at the mouth of the channel as reference and group1 is one of the atom in the side chain of the ligand.
Now I have the pullx file,( and here 1dz is the z coordinate of group1-group0), but here I would like to have z-coordiante of the ligand(instead of the single atom at the side chain)-group1. Becuase I beleive , that will give the correct position of the ligand (please correct me if I am wrong) Is there any way to do this without running the SMD again? I have plotted the g_dist between the reference group and the ligand. But that does not take the place of pullx. Please give your suggestions. Thanks, -- Aswathy
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