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

tarak karmakar tarak20489 at gmail.com
Fri Aug 9 13:07:07 CEST 2013

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.



More information about the gromacs.org_gmx-users mailing list