[gmx-users] Installation of g_mmpbsa with Gromacs 2016.3

Hermann, Johannes J.Hermann at lrz.tu-muenchen.de
Tue Apr 17 10:47:12 CEST 2018

Dear Gromacs-Users,

I know that g_mmpbsa is not a Gromacs tool but I guess there are some 
people here who installed / used it.
I want to install g_mmpbsa using my current 2016.3 gromacs gmx_mpi 
installation and my already installed apbs 1.4.1.
First of all, in the installation instruction of g_mmpbsa it says, that 
gromacs 4.6.x should be installed with -DGMX_GPU=off. Will it work with 
my 2016.3 version, where I use gpu acceleration?
Has anyone a similar configuration and tried installation of g_mmpbsa 
the following way:

cd g_mmpbsa
mkdir build
cd build
       -DAPBS14=on \
       -DCMAKE_INSTALL_PREFIX=/opt/g_mmpbsa \
sudo make install

Thank you very much in advance for your help!

All the best

*Technische Universität München*
*Johannes Hermann, M.Sc.*
Lehrstuhl für Bioverfahrenstechnik
Boltzmannstr. 15
D-85748 Garching
Tel: +49 8928915730
Fax: +49 8928915714

Email: j.hermann at lrz.tum.de

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