[gmx-users] standard state correction of delta G from a PMF
Elio Cino
ecino at uwo.ca
Thu Jun 24 23:11:49 CEST 2010
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100624/d6d78259/attachment.html>
More information about the gromacs.org_gmx-users
mailing list