Dear Gromacs users,
I have been using Pcgamess for QM calculations, which is a very fast
(and free) program, and has some QMMM capabilities(but a size limit of
about 1000 atoms ). I just found out that Gromacs now has QMMM
capabilities with CPMD, Gaussian and Gamess(UK). Does any one know
whether a Gromacs-PcGamess QMMM interface is planned? It would be great
for those of us with small research budgets, and who cannot afford the
comercial QM codes.
Pedro
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