Sir,
I have used iwrap=1 for a simulation. Is the re-imaging commands below ok?
I want to use ptraj; (autoimage is for cpptraj. isnt?). a dsDNA and ligand.
center :1-20 mass origin
image origin center familiar
center :1-40 mass origin
image origin center familiar
center :1-41 mass origin
image origin center familiar
Is this correct.
If i didnt use iwrap=1; then re-imaging is not necessary. Isnt?
Thanking you
mary
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Received on Fri Jun 03 2016 - 04:00:02 PDT
