From chemistry-request@server.ccl.net Thu Mar 13 08:53:49 2003
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Date: Thu, 13 Mar 2003 13:53:46 +0000
From: Richard Greaves <greaves@ysbl.york.ac.uk>
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Organization: York Structural Biology Laboratory
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Subject: Using PCM for single point SCF on larger systems
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Hi,

I'm trying run single point SCF calculations on an atomic systems of
between 70 and 100 atoms.

Has anyone out there got experience of using PCM on large systems? What
dimensions are optimal in GAMESS for such runs - i.e. what should I set
MXSP and MXTS to?

Richard Greaves,
University of York, UK.