[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





More information about the gromacs.org_gmx-users mailing list