VMD-L Mailing List

From: Ahmet Bakan (abakan_at_ku.edu.tr)
Date: Wed Apr 28 2004 - 17:26:07 CDT

Hi,

I would like to know how you get an evaluation copy of MOE. Last semester we
discussed buying it, lack of experience with it made us forsake.

Ahmet

==========ABC==========
Ahmet Bakan
Chemistry, Junior
Koc University
abakan_at_ku.edu.tr
ICQ #86167698
http://home.ku.edu.tr/~abakan

-----Original Message-----
From: owner-vmd-l_at_ks.uiuc.edu [mailto:owner-vmd-l_at_ks.uiuc.edu] On Behalf Of
Mike McCallum
Sent: Wednesday, April 28, 2004 10:43 PM
To: vmd-l_at_ks.uiuc.edu
Subject: vmd-l: MOE discussion

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