[gmx-users] Binning of Free Energy landscapes

2014-02-25 Thread Ankita Naithani
Hi, I was wondering as to what exactly happens during the binning of Free Energy Landscapes as generated by g_sham? I generated Free Energy Landscapes using g_sham and my Principal Components but I am trying to understand what does bin account for and how exactly does it function? Kind regards

Re: [gmx-users] Binning of Free Energy landscapes

2014-02-25 Thread Justin Lemkul
On 2/25/14, 8:30 AM, Ankita Naithani wrote: Hi Justin, Thank you for your reply. I actually wanted to know that for instance if my input to g_sham were my two principal components so would the bin indexes contain the frame numbers or time points? I get 1024 bins, and so I was confused as to