Scientific software package designed to perform Langevin Dynamics simulations of coarse-grained proteins (tubulins), implemented in C++ and GPU-accelerated with CUDA. In the software, I also utilized MPI to be able to run parallel simulations on the nodes with multiple graphics accelerators.
Usage:
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Copy MT/ to your working folder
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Download CMake 2.8+
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Compile - in MT/ folder:
ccmake . then press 'c' 'g' ;
make
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Configure config files in config/
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Run by shell command:
./mt config/config.conf > outputofterminal.out &
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Visualize dcd trajectories in VMD
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PROFIT!