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

chris.neale at utoronto.ca chris.neale at utoronto.ca
Fri Jun 25 01:21:04 CEST 2010

Dear Elio:

I think I was pretty clear in my last email:

If you still have trouble, then your next post should include things
like "I tried this... but I didn't understand this specific part...."
to make it clear that you have put in the effort here.

Otherwise, hopefully somebody else has the time to help you.


-- original message --

Hi Chris. Thanks for getting back to me. My problem is with the  
conversion to standard state concentration (1M) from umbrella sampling  
simulations. I can't understand how to do this from my umbrella  
sampling simulations. Even after reading several papers that perform  
the correction unclear on what is going on.

Elio Cino

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