[gmx-users] Gromacs2019 + Gaussian09 QMMM
nikolaev at spbau.ru
nikolaev at spbau.ru
Sat Sep 28 13:48:00 CEST 2019
Dear all,
I am planning to run QM/MM dynamics (ONIOM), following the approach
described here
http://manual.gromacs.org/2019/reference-manual/special/qmmm.html#output
(not the MiMiC, because it has only an additive scheme), Gaussian09 as the
QM package.
However, I could not find any information on compilation of gromacs 2019
with Gaussian, only CP2K for MiMiC support:
http://manual.gromacs.org/documentation/2019/install-guide/index.html
Where I can find the information on the Gromacs2019+Gaussian09 QMMM
installation?
Best,
Dmitrii
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