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<DIV>Dear GMX users,</DIV>
<DIV> </DIV>
<DIV>I want to do calculations of PMF based SMD and US, for the SMD calculation, first I should change the coordinates of the protein and ligand, so that the orientation of the ligand is parallel with Z axis. Could someone tell me how to deal with this step? Thanks very much!<BR></DIV>
<DIV>All the best,</DIV>
<DIV>qinghua</DIV>