Minimize structure [Fix clashes] with OpenMM

files from another job e.g., 614e0a1b

The raw output files for each step of the pipeline can be found here and downloaded as a ZIP file here.


P. Eastman, J. Swails, J. D. Chodera, R. T. McGibbon, Y. Zhao, K. A. Beauchamp, L.-P. Wang, A. C. Simmonett, M. P. Harrigan, C. D. Stern, R. P. Wiewiora, B. R. Brooks, and V. S. Pande, “OpenMM 7: Rapid development of high performance algorithms for molecular dynamics,” PLoS Comput Biol, vol. 13, no. 7, pp. e1005659–17, Jul. 2017.

We are exploring using https://piwik.pro to track usage of the server for grant proposals, scientific presentations.

Please write to us if there is any problem with your job mail us [behind Apple Hide My Mail].