Re: CCL:Quantom Chemical Molecular Dynamics

From: A J Turner <chpajt.,at,.bath.ac.uk>
Subject: Re: CCL:Quantom Chemical Molecular Dynamics
Date: Sun, 27 Oct 1996 18:30:49 +0000 (GMT)

 Hi!
 Charmm will do just that.  Charmm 24b2 should do the ab-initio stuff - but
 I found a bunch of routines missing when I tried to compile.  The am1
 method is quite stable now.
 There are numberous others - but that one is availible commercially (for
 the am1 at least) and straight forward.
 Good luck
 Alex
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 |Alexander J Turner         |A.J.Turner.,at,.bath.ac.uk                  |
 |Post Graduate              |http://www.bath.ac.uk/~chpajt/home.html|
 |School of Chemistry        |+144 1225 8262826 ext 5137             |
 |University of Bath         |                                       |
 |Bath, Avon, U.K.           |Field: QM/MM modeling                  |
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