[gmx-users] standard state correction of delta G from a PMF

Elio Cino ecino at uwo.ca
Tue Jun 22 16:33:55 CEST 2010


Hello. I was wondering if anyone could explain how to convert delta G's from a PMF (generated by umbrella sampling and WHAM) into standard state values? There are some posts here on how to do this, but are too mathematical for me to figure out. I also found the same problem when reading some papers that do standard state correction. So if anyone has the time to explain this again in a more basic manner it would be appreciated. Thanks. 

Elio Cino


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