Subject: Re: CCL:FF, and QM/MM Software

From: Marcel Swart <[email-masked]>
Date: Wed, 23 Jan 2002 11:13:18 +0100

>Hello everybody,
>I am interested to buy a software to do QM/MM calcculations and FF 
>minimalisations for a project concerning biochemistry. I know some 
>about CHARMM or AMBER, but I have never use them. Could anybody give 
>me suggestions and critics upon their use and also on other software 
>?
>Thank's in advance.
>Pierre Mignon .

QM/MM calculations on biochemical systems are possible with ADF, and 
have been applied
already to systems of 2000-13000 atoms, where the AMBER95 force field 
is used for the MM system.
-- 
Marcel Swart

Theoretische Chemie (MSC) / Moleculaire Dynamica (GBB)
Rijksuniversiteit Groningen
Nijenborgh 4
9747 AG Groningen
The Netherlands

[email-masked]
http://go.to/m.swart