Bias and error in estimates of equilibrium free-energy differences from nonequilibrium measurements
โ Scribed by Gore, J.; Ritort, F.; Bustamante, C.
- Book ID
- 127252506
- Publisher
- National Academy of Sciences
- Year
- 2003
- Tongue
- English
- Weight
- 525 KB
- Volume
- 100
- Category
- Article
- ISSN
- 0027-8424
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
## Abstract A promising method for calculating free energy differences __ฮF__ is to generate nonequilibrium data via โfastโgrowthโ simulations or by experimentsโand then use Jarzynski's equality. However, a difficulty with using Jarzynski's equality is that __ฮF__ estimates converge very slowly and
## Abstract The possibility of estimating equilibrium freeโenergy profiles from multiple nonโequilibrium simulations using the fluctuationโdissipation theory or the relation proposed by Jarzynski has attracted much attention. Although the Jarzynski estimator has poor convergence properties for simu