Hi,
would any one please explain me the application of "center" and "image origin center". here is my ptraj script, my protein has 468 residues.
because when I use center and image origin center the rmsf or other results is totally diffrent. I read the ptraj tutorial but cant undrestand these command.
trajin L.mdcrd.gz
center :1-468
image origin center
trajout L.binpos binpos
reference minimize.rst
rms reference out backbone.rms .C, N, CA time 1
atomicfluct out rmsf.dat .CA byres bfactor
Thank you very much for considering
homa
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Received on Mon Jun 21 2010 - 23:00:03 PDT
