Maurice Karrenbrock

2 Questions 2 Answers 0 Followers

Questions related from Maurice Karrenbrock

Gmx distance histogram (-oh) puts 100% probability on last bin?

Hello, I measured the distance between two centers of mass during a MD run using gmx distance. Even though the -oall file shows me that the distance changed over time the histogram file -oh puts...

24 April 2020 9,951 1 View

Gromacs Protein com Ligand com distance, which is the right selection syntax for gmx distance?

I would need to check the distance between the two centers of mass of a Protein and of an organic Ligand (the resname and the resnumber of the ligand are both known), inside a system containing...

23 April 2020 3,829 4 View