If it's a low version of gromacs, then you need to start with . /configure, followed by the parameters according to their own situation, this success before you can make;

If it is gromacs4.6, you need to use cmake to install, that is, you need to install cmake, and then use cmake to install gromacs;

You use Baidu to search for groamcs gpu, the search results have a how-to on gpu. The result has a how to install gromacs in gpu environment, you can refer to it, can not copy it