[gmx-users] A question about gromacs and gamess-uk

Pradip Kumar Biswas p.biswas at csuohio.edu
Wed Apr 5 20:20:29 CEST 2006


I believe you need to use:


though I have never tested that for Gamess but with other QM options.


On Jul 20, 2005, at 5:40 AM, 尹俊 wrote:

> Hi all
> I have red the instruction on the website 
> http://md.chem.rug.nl/~groenhof/qmmm.html.
> When I install gamess-uk with gromacs, I don't konw how to "update the 
> Makefile to match the configuration on my computer system ".
> I need your help,if anyone who has experience on this aspect.
> Thanks!
> ÐèÒªÒ»¸ö2000Õ×µÄÃâ·ÑÓÊÏäÂð£¿
> ÍøÒ×Ãâ·ÑÓÊÏäÊÇÖйú×î¶àÈËʹÓõĵç×ÓÓÊÏä¡£
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