[AMBER] autoimage problem

From: Ming Tang <m21.tang.qut.edu.au>
Date: Mon, 14 May 2018 13:59:14 +0000

Dear amber experts,

I am simulating a protein with a gold nanoparticle in an octahedral water box. During the simulation, the gold nanoparticle was fixed, but still was "separated" when I visualize the trajectory in chimera. I tried to use autoimage in cpptraj, but failed to fix the peridic issue. I tried to use fixed and origin command, but failed again. Could you please help to give me some guidance?

Thanks a lot,
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Received on Mon May 14 2018 - 07:00:02 PDT
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