[gmx-developers] QM/MM in Gromacs

Anton Feenstra feenstra at chem.vu.nl
Mon Feb 25 12:01:09 CET 2002


Erik Lindahl wrote:
> 
> Valentin Gogonea wrote:
> 
> > Hi,
> >
> > Is there any attempt to implement a QM/MM method in Gromacs?
> >
> > Valentin
> > Department of Chemistry
> > Cleveland State University
> 
> Yes - speak to Gerrit Groenhof, groenhof at chem.rug.nl !

Don't expect a quick reply -- he is currently in Japan...
(BTW he is also on this list.)

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Free University Amsterdam    |
| |----  | De Boelelaan 1083 - 1081 HV Amsterdam - The Netherlands   |
| |----  | Tel: +31 20 44 47608 - Fax: +31 20 44 47610               |
| ' __   | Feenstra at chem.vu.nl - http://www.chem.vu.nl/afdelingen/FAR|
|  /  \  |-----------------------------------------------------------|
| (    ) | Dept. of Biophysical Chemistry - University of Groningen  |
|  \__/  | Nijenborgh 4 - 9747 AG Groningen - The Netherlands        |
|   __   | Tel +31 50 363 4327 - Fax +31 50 363 4800                 |
|  /  \  | K.A.Feenstra at chem.rug.nl - http://md.chem.rug.nl/~anton   |
| (    ) |-----------------------------------------------------------|
|  \__/  | "What If None Of Your Dreams Come True ?" (E. Costello)   |
|________|___________________________________________________________|



More information about the gromacs.org_gmx-developers mailing list