[gmx-users] question of smd
fancy2012 at yeah.net
Tue May 3 10:10:32 CEST 2011
Dear GMX users,
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!
All the best,
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