VMD-L Mailing List
From: Mike McCallum (mmccallum_at_pacific.edu)
Date: Wed Apr 28 2004 - 14:43:22 CDT
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Because of the tutorials at the ks.uiuc.edu website, I have been
introduced to MOE (http://www.chemcomp.com), and am playing with an
evaluation copy of it. It seems to be a great package, particularly in
helping integrate perhaps the most tedious chore in simulations --- new
parameter generation. However, it is quite expensive, and has a yearly
license, which of course is infinitely more costly than what I (most of
us?) are used to (Charmm, G03, VMD, NAMD, AMBER, etc etc). It appears
much more convenient to use, though it does duplicate much of what the
VMD/PSFGEN/NAMD combination does.
Have other people been using this package? What do you think? John
and Justin, I'm particularly interested in what you have to say, as you
all appear to have some experience with it.
Cheers
-- C. Michael McCallum http://chem.cop.uop.edu/cmmccallum.html Associate Professor Department of Chemistry, UOP mmccallum .at. pacific .dot. edu (209) 946-2636 v / (209) 946-2607 fax -- C. Michael McCallum http://chem.cop.uop.edu/cmmccallum.html Associate Professor Department of Chemistry, UOP mmccallum .at. pacific .dot. edu (209) 946-2636 v / (209) 946-2607 fax
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