Re: [gmx-users] QMMM cpmd

Hi Stefan, unfortunately, cpmd-qmmm does not seem to be part of the standard gromacs version. If you want to use it, you have to use some ancient versions of gromacs and the patch from this page: http://www.tougaloo.edu/research/qmmm/index.htm If you have a big QM box, the superiority of cpmd in

[gmx-users] QMMM cpmd

I've downloaded gromacs from the git repository. I type ./bootstrap and get loads of warnings like this configure.ac:414: warning: AC_CACHE_VAL(ac_m_cpu_7450, ...): suspicious cache-id, must contain _cv_ to be cached configure.ac:414: warning: AC_CACHE_VAL(ac_m_tune_970, ...): suspicious cache-id,