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FoleyLab edited this page Dec 3, 2017 · 1 revision

Welcome to the MolecularDynamics wiki!

  • Source code for Molecular Dynamics Program - can compile and run on Linux, Windows, and Mac OSX

  • This folder should containt the source code (MD.cpp) and a makefile which can be used to compile the source to a machine-executable file.

  • A copy of the gnu public license (LICENSE.md) should be included.

  • To compile this code using a gnu C/C++ compiler and create an executable called 'MD.exe' in a Linux/Unix environment, type

    make

  • To run the program in a Linux/Unix environment, type

    ./MD.exe

  • The program will run interactively. Follow the prompts to customize your simulation

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