[gmx-users] Re: Re: Re: Re: Which/What is the adequate overlap

Hi Thomas, thank you for your reply. Hi Mike, Your confusion might stem from a very simple issue. To see the overlap of the forward and backward distributions, you have to plot N(+Delta H(lambda=x) | lambda=y) and N(-Delta H(lambda=y) | lambda=x). Do I understand it right, that for instanc

[gmx-users] Re: Re: Which/What is the adequate overlap using g_BAR

Dear Gromacs People, I want to calculate free energy differences between two states A and B using g_BAR. For this I read many papers concerning the overlap between neighboring sample windows (Delta H) but I am still wondering about the following issue: I know, that there has to be an adequa

[gmx-users] Which/What is the adequate overlap using g_BAR

that all the "left side calculated" and all the "right side calculated" neighbor distributions have to overlap, the overlap in the attached file is great, isn't it? But is that really the correct overlap? Thank you in advance, Mike Nemec -- gmx-users mailing listgmx-us