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- February 16, 2018.
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- Josh Fass1,6,
- David A. Sivak2,
- Gavin E. Crooks3,
- Kyle A. Beauchamp4,
- Ben Leimkuhler5 and
- John D. Chodera6,*
- 1Tri-Institutional PhD Program in Computational Biology & Medicine, New York, NY 10065; josh.fass{at}choderalab.org
- 2Department of Physics, Simon Fraser University, Burnaby, BC V5A 1S6, Canada; dsivak{at}sfu.ca, http://www.sfu.ca/physics/sivakgroup.html
- 3Rigetti Computing; gec{at}threeplusone.com
- 4Counsyl, South San Francisco, CA 94080; kyleabeauchamp{at}gmail.com
- 5School of Mathematics and Maxwell Institute of Mathematical Sciences, James Clerk Maxwell Building, Kings Buildings, University of Edinburgh, Edinburgh, EH9 3JZ, UK; B.Leimkuhler{at}ed.ac.uk, http://kac.maths.ed.ac.uk/~bl
- 6Computational and Systems Biology Program, Sloan Kettering Institute, Memorial Sloan Kettering Cancer Center, New York, NY 10065; john.chodera{at}choderalab.org, http://choderalab.org
- ↵*Correspondence: john.chodera{at}choderalab.org
Posted February 16, 2018.
Quantifying configuration-sampling error in Langevin simulations of complex molecular systems
