AMBER Archive (2002)

Subject: Octane Box (equilibrated)

From: samantha hughes (s.j.hughes_at_ic.ac.uk)
Date: Wed Jul 24 2002 - 10:27:53 CDT

Hi all,

Before I reinvent the wheel, I am looking for a box of equilibrated
octane solvent, something that I know has been done in CHARMM and I
guess has probably been done by an AMBER user somewhere. Could anyone
provide me with an equilibrated octane box ?

Much obliged,
Samantha

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Samantha Hughes, PhD
Department of Chemistry
Imperial College of Science, Technology and Medicine
Exhibition Road
London SW7 2AY
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