[gmx-users] gromacs-4.5.5 CPMD QM/MM

[tarak karmakar]

Dear All,

I am planning to perform a QM/MM calculation of my protein system. Can
anybody suggest me whether gromacs-4.5.5 can be patched with any latest
version of CPMD? If not, then please suggest me some combination of the
gromacs-cpmd versions.
I came across this tutorial, but there, both gromacs and cpmd versions are
very old.

http://www.tougaloo.edu/research/qmmm/

regards,
Tarak