[gmx-users] Box dimension in Umbrella Sampling

Dear users, I am using Gromacs 2016 to do umbrella sampling of a protein-RNA complex. I am following the Lemkul's tutorial of umbrella sampling, but I couldn't get how the box dimension was determined. I understand why for a pull of 5nm, the z axis of the box is set at 12 nm, but did not get how

Re: [gmx-users] Box dimension in Umbrella Sampling

On 4/25/19 7:10 AM, SUSHMITA BASU wrote: Dear users, I am using Gromacs 2016 to do umbrella sampling of a protein-RNA complex. I am following the Lemkul's tutorial of umbrella sampling, but I couldn't get how the box dimension was determined. I understand why for a pull of 5nm, the z axis o