[AMBER] Switch-off PBC in md-GPU

From: Adam Jion <adamjion.yahoo.com>
Date: Fri, 3 Aug 2012 03:42:18 -0700 (PDT)

Hi all,

Is it possible to switch-off the periodic boundary conditions in an explicit molecular dynamics simulation using GPU (i.e. pmemd)?

I&#39;m trying to simulate proteins in a confined-space.

Regards,
Adam
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Received on Fri Aug 03 2012 - 04:00:03 PDT