[gmx-users] Gromacs2018.5 install with gaussian09 for QM/MM
xzhfood at njau.edu.cn
Wed May 8 04:17:29 CEST 2019
Dear Gromacs support,
I want to install Gromacs 2018.5 with gaussian09 software support in Centos system, I try to use “--with-qmmm-gaussian” when I compile gromacs, but it does not work. I wonder how to compile gromacs with gaussian support, please help me ?
The detail command is as follows:
cmake .. -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs \
-DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx \
2>&1 | tee cm.log
Gromacs 2018.5 compile and install successfully without “--with-qmmm-gaussian \”
Thank you for your kindly help, I am looking forward to hear from you.
Nanjing Agricultural University
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