> i generate a PDB file using ambpdb, but the center of
> PDB coordinate from ambpdb seems to different from the original PDB file.
leap centers the molecule in a box that has a corner at 0,0,0.
> .. I want to compare the changes in my original PDB file
> after minization. If yes then how can I overlap these two structures?
Use ptraj with an rms fit.
Bill
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Received on Tue Apr 18 2006 - 03:02:43 PDT
