[gmx-users] Installation of g_mmpbsa with Gromacs 2016.3

[Hermann, Johannes]

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
cmake -DGMX_PATH= PATH/TO/GROMACS \
       -DAPBS14=on \
       -DAPBS_INSTALL=PATH/TO/APBS \
       -DCMAKE_INSTALL_PREFIX=/opt/g_mmpbsa \
       ..
make
sudo make install


Thank you very much in advance for your help!

All the best
Johannes

-- 
______________________________________
*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
http://www.biovt.mw.tum.de/