[gmx-users] Non-symmetric PMF across lipid bilayer

Chris Neale candrewn at gmail.com
Wed Nov 21 18:59:22 CET 2018


I agree with Jochen. You've got a problem with convergence and symmetrizing
the PMF is going to hide the orthogonal sampling barrier, which is likely
the most interesting piece of information in your data set. I'll plug my
own paper on this one:
https://www.sciencedirect.com/science/article/pii/S0005273616300839


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