Molecular Dynamics Simulations with GROMACS

About

• This project is about running molecular dynamics simulations with GROMACS

Resources

• GROMACS

• GROMACS Tutorials 1 (pdf)

• GROMACS Tutorials 2

• GTOMACS Tutorials 3 (Namkul)

• FOR MDRUN PERFORMANCE

References

• [Introduction to Molecular Dynamics (Queensland)] (http://compbio.biosci.uq.edu.au/education/mdcourse/index.html)

• [Introduction to Molecular Dynamics Simulation (P. Allen)] (https://udel.edu/~arthij/MD.pdf)

• [Computation of free energy] (http://bioinf.uab.cat/xavier/papers/helvchimacta_85-3113.pdf)

• [Molecular dynamics] (https://en.wikipedia.org/wiki/Molecular_dynamics)

• Nature collections

Contact

• [email protected]