YUP: A Molecular Simulation Program for Coarse-Grained and Multi-Scaled Models.

@article{Tan2006YUPAM,
  title={YUP: A Molecular Simulation Program for Coarse-Grained and Multi-Scaled Models.},
  author={Robert K-Z Tan and Anton S. Petrov and Stephen C. Harvey},
  journal={Journal of chemical theory and computation},
  year={2006},
  volume={2 3},
  pages={529-540}
}
Coarse-grained models can be very different from all-atom models and are highly varied. Each class of model is assembled very differently and some models need customized versions of the standard molecular mechanics methods. The most flexible way to meet these diverse needs is to provide access to internal data structures and a programming language to manipulate these structures. We have created YUP, a general-purpose program for coarse-grained and multi-scaled models. YUP extends the Python… CONTINUE READING

Citations

Publications citing this paper.
Showing 1-10 of 39 extracted citations

References

Publications referenced by this paper.
Showing 1-10 of 24 references

Similar Papers

Loading similar papers…