Dear Szilárd,
Thank you for your quick response. You are correct, after
issuing sudo apt-get install gcc-9 g++-9 CMake was run with:
CMAKE_PREFIX_PATH=/usr/:/usr/local/cuda/ cmake ../ -DGMX_BUILD_OWN_FFTW=ON
-DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=ON
-DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cud
Hi,
I am undergraduate student wanting to learn and use GROMACS for a project
on membrane proteins. Is altering membrane potential in a simulation
possible using GROMACS? I do apologize if this is trivial. I tried looking
at the documentation, but most of the information are currently too
challeng
Dear users,
I need to know for charge density calculation specially for water, should
we use -center /-symm option or not and if not why?
Since I tried the option (-center/-symm) for charge density calculation of
water and gmx dens module was not reading frame. I used the gromacs version
5.1.4 for
I am using Linux to install gromacs and have installed all the
prerequisites and programs and packages as per my knowledge. In the build
directory, after using the command - 'cmake ..' I have received the
following error message. Please help me out with this.
ERROR -
CMake Error at CMakeLists.txt:6
Hi Ryan,
The issue you linked has been worked around in the build system, so my
guess is that the issue you are seeing is not related.
I would recommend that you update your software stack to the latest version
(both CUDA 9.1 and gcc 5 are a few years old). On Ubuntu 18.04 you should
be able to g
