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

  • More information about this program, including detailed instructions for its use, can be found here for instructions and here for discussion of its use in an undergraduate laboratory setting

  • 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

Note for Windows users on Cygwin installation: Our J. Chem. Ed. article suggests installing all Cygwin packages, which is quite large and time consuming. Success with a much lighter installation has been reported by selecting the default package installation plus 3 additional packages under the "devel" sub-heading. As accessed on 01/08/2020, these packages and version numbers are as follows:

  • gcc-g++ (7.4.0-1)
  • git (2.21.0-1)
  • make (4.2.1-2)