[gmx-users] Gromacs installation to do coupled QMMM with Gaussian

Maryam Kowsar maryam.kowsar at gmail.com
Sun Aug 5 18:42:07 CEST 2018


Dear all,

How can I compile Gromacs for doing QMM/MM computations with Gaussian ? Is
there a special flag during installation process? I have read the
instructions in
http://www.gromacs.org/Downloads/Installation_Instructions/compiling_QMMM
But it is not a step by step instruction. Your help would be appreciated.

Thank you.
Best


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