[gmx-users] binding free energy

elham tazikeh elham.tazikeh at gmail.com
Sun Aug 16 18:41:22 CEST 2015

Dear Users
for g_mmpbsa installation (by using source code and APBS 1.4 and gromacs
after below command:
pdfco at pdfco-X:~/g_mmpbsa/build$ cmake -DGMX_PATH=/opt/gromacs \
> -DAPBS14=on \
> -DAPBS_INSTALL=/opt/apbs \
> -DCMAKE_INSTALL_PREFIX=/usr/local/bin/g_mmpbsa \
> ..
i saw:

-- The C compiler identification is GNU 4.8.2
-- The CXX compiler identification is GNU 4.8.2
-- Check for working C compiler: /usr/bin/cc
-- Check for working C compiler: /usr/bin/cc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/c++
-- Check for working CXX compiler: /usr/bin/c++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Configuring done
-- Generating done
-- Build files have been written to: /home/pdfco/g_mmpbsa/build

and after that by using make:
i ve got this messages:
Scanning dependencies of target energy2bfac
[ 10%] Building C object src/CMakeFiles/energy2bfac.dir/energy2bfac.c.o
Linking C executable energy2bfac
[ 10%] Built target energy2bfac
Scanning dependencies of target g_mmpbsa
[ 20%] Building C object src/CMakeFiles/g_mmpbsa.dir/main.c.o
[ 30%] Building C object src/CMakeFiles/g_mmpbsa.dir/energy_mm.c.o
[ 40%] Building C object src/CMakeFiles/g_mmpbsa.dir/InputPBSA.c.o
[ 50%] Building C object src/CMakeFiles/g_mmpbsa.dir/nsc.c.o
[ 60%] Building C object src/CMakeFiles/g_mmpbsa.dir/PbsaPrep.c.o
[ 70%] Building C object src/CMakeFiles/g_mmpbsa.dir/psize.c.o
[ 80%] Building C object src/CMakeFiles/g_mmpbsa.dir/radius.c.o
[ 90%] Building C object src/CMakeFiles/g_mmpbsa.dir/apbs14_main.c.o
[100%] Building C object src/CMakeFiles/g_mmpbsa.dir/apbs14_routines.c.o
Linking CXX executable g_mmpbsa
[100%] Built target g_mmpbsa
pdfco at pdfco-X:~/g_mmpbsa/build$ sudo make install
[sudo] password for pdfco:
[ 10%] Built target energy2bfac
[100%] Built target g_mmpbsa
Install the project...
-- Install configuration: ""
CMake Error at src/cmake_install.cmake:50 (FILE):
 file cannot create directory: /usr/local/bin/g_mmpbsa/bin.  Maybe need
 administrative privileges.
Call Stack (most recent call first):
 cmake_install.cmake:37 (INCLUDE)

make: *** [install] Error 1
Also i ve got this error:

CMake Error: The source directory "/home/pdfco/g_mmpbsa/build/ .." does not
Specify --help for usage, or press the help button on the CMake GUI.

i really apprciatefor any help
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