how to wrap atoms
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nasridine
how to wrap atoms
I ran AIMD simulation for a system with a metal ion and 64 waters. When I visualize the trajectory, the ion is sitting at the corner of the simulation box. Is there a way to wrap the atoms and have the ion at the center of the water box if I know the dimensions of the simulation box?
Last edited by nasridine on Sun Aug 05, 2012 6:21 am, edited 1 time in total.
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support_vasp
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Re: how to wrap atoms
Hi,
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