electric field and MISC energy

From: Todd Trimble (TODD.TRIMBLE_at_asu.edu)
Date: Wed Nov 08 2006 - 16:19:02 CST

Hi All,

I know this question has been brought up before but I haven't found any
replies. I'm applying a constant electric field to a periodic box of
water with nucleic acid and counterions. The energy from the field, as
shown under the heading MISC, decreases monotonically in a single run.
However, if I break up the run into to smaller runs, using the
coordinates and velocities from the previous run as initial conditions,
the energy under MISC seems to be reset at the start to a value close to
that from the beginning of the previous run. Can someone tell me the
definition of the MISC entry and why it's behaving like this? Thanks
for your help,


Todd Trimble
Center for Applied Nanobioscience at the Biodesign Institute
Arizona State University

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