On Thu, Jan 31, 2013, Thomas Evangelidis wrote:
>
> I ran a short simulation with pmemd.cuda using the following parameters but
> the truncated octahedron was gradually reshaped to a parallelepiped box. Am
> I doing something wrong?
Doens't sound like it. There are various ways to represent a truncated
octahedron. If you want to view the results as an ocatahedron, use the
"familiar" keyword in the image command in ptraj or cpptraj.
...dac
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Received on Thu Jan 31 2013 - 05:00:02 PST
