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 m.swart(-(at)-)chem.rug.nl http://go.to/m.swart