- 对MD开发感兴趣，学历不限，最好有比较扎实的数学、物理和C/C++语言基础。
- 现有的团队成员负责为新成员进行基础开发培训
- 开发成果可自由用于学术研究和课题工作
- Modar is a software package for molecular dynamics (MD) simulation, including modeling, sampling, and result analysis. Whole package is coded in C++/C language, and powered with OPENMP, CUDA, MPI Parallelization.
- A simple and easy script language is implemented in Modar for carrying out all relevant functions needed for MD simulation. Taking the advantage of the flexibility of script language, Modar can help user realize advanced level modeling, reslult analyzing, even do some algorithm and methodology study jobs without playing with the source code.
- Modar is free for all academic or nonprofit researching purposes. Currently the source code is not ready to be open yet, but we do welcome any academic group or researchers to join the development team to help us to make it more powerful and more extendable.
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Prebuild binaries for MS Windows, XP up (natively not CYGWIN needed)
- The visualization tool Movar is already packed in the balls
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Modar is totally portable for all platforms; please see “readme.txt” in the package for more details.
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./modar run.inp
Where “run.inp” is an input scipt file composed in Modar script language, and the log messages will be printed to a log file, which has the same file name of the input file but with a “.log”, and it will be “run.log” in this example. The timing information (how long the job will take) and the size of trajectory file will be reported on the fly on screen.
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Please see modar command manpage here for more information
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A brief introduction to MD simulation
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Example 5: Base flipping in RNA by Steered MD
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Example 6: Quick PMF evaluation for protein and ligand binding
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Example 7: Membrane simulation: building a lipid bilayer
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Example 8: Membrane simulation: drug molecule translocation
MoDaR (Molecular Dynamics package at Ryan Research)
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About Modar
Downloads (Jun06-2014)
Run a MD job using Modar
Documents and examples
Contact us
| Phone: | 400-660-8656 | |
| Email: | support@beemd.org |
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