From: jcm203_at_soton.ac.uk
Date: Tue Apr 04 2006 - 09:09:18 CDT
Hi,
I seem to be getting some slightly odd results from the energy due to the
electric field when i run a simulation. The energy seems to be decreasing
throughout each 0.5 ns batch and then every time i resubmit my job to the
queue the value jumps back up and then begins to decrease again.
I've checked that the ions in my simulation are behaving normally and there
doesn't seem to be a problem, they're simply being pulled round by the
electric field. Just wondering if anyone can tell me why I'm getting these
energy readings,
Thanks,
Jenny McKelvie.
University of Southampton Chemistry Department
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