Talk:Free-energy perturbation
 | This article is rated Start-class on Wikipedia's content assessment scale. It is of interest to the following WikiProjects: | ||||||||||
| |||||||||||
Bias towards MC
[edit]This article says that FEP is used in both molecular dynamics (MD) and monte carlo (MC), but the text goes on to discuss the application of FEP within the implicit context of MC (e.g., referring to "each time a new configuration is accepted"). This bias towards MC makes the article a bit confusing to those without a background in MC. Glennklockwood (talk) 19:10, 23 April 2010 (UTC)
Undefined terms
[edit]The terms EA and EB in the equation need to be defined — Preceding unsigned comment added by 137.43.140.79 (talk) 09:17, 31 August 2012 (UTC)
Thermodynamic Perturbation
[edit]what is described here is the thermodynamic perturbation. The free energy perturbation is an extension of the thermodynamic perturbation, people might get confused! — Preceding unsigned comment added by 130.235.1.45 (talk) 17:32, 28 January 2013 (UTC)
And G is usually Gibbs free energy. you should use A instead since it is performed using Helmholts' free energy. — Preceding unsigned comment added by 130.235.1.45 (talk) 17:42, 28 January 2013 (UTC)