Re: [gmx-users] output of the -hist option of the g_wham command

2010-06-27 Thread Amir Marcovitz
Hi, It simply gives you the histogram of each individual input simulation for the umbrella. >From my experience, it is very useful in cases that you're WHAM will not converge and it allows you to verify weather there is a sufficient overlap between adjacent input configurations.It can be useful in

[gmx-users] output of the -hist option of the g_wham command

2010-06-22 Thread Ozge Engin
Hi all, I am trying to perform umbrella sampling along with the WHAM to get the PMF. I go over the "umbrella sampling" tutorial prepared by Justin. Everything seems OK to me except one point. I could not understand the output given by the hist option of the g_wham command. There, what does "histo