Dear amber users:
I have completed a simple simulation, but the protein get out the box in the
trajectory output file.
I have tried to use the center command in the cpptraj:
center :1-129
or
center :1-129 origin
image origin center familiar
But neither of them worked, I just want to get a trajectory that all atoms
in one box unit. How can i achieve that?
Any suggestion would be appreciated
Thank you.
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Received on Fri Jun 15 2018 - 07:30:02 PDT
