/MT

Program that implements assembling and disassembling of microtubules

Primary LanguageC++

MADDY - Microtubule Assembly and Disassembly DYnamics

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:

  1. Copy MT/ to your working folder

  2. Download CMake 2.8+

  3. Compile - in MT/ folder:

    ccmake . then press 'c' 'g' ;

    make

  4. Configure config files in config/

  5. Run by shell command:

    ./mt config/config.conf > outputofterminal.out &

  6. Visualize dcd trajectories in VMD

  7. PROFIT!