Flavio Seixas

2 Questions 4 Answers 0 Followers

Questions related from Flavio Seixas

How to generate an all-to-all RMSD map from trajectory file after molecular dynamis simulations?

Hi Could someone indicates me a program or script to create an all-to-all RMSD map computed from molecular dynamics trajectory? I want to generate a correlation map between the RMSD of the amino...

04 April 2019 6,486 5 View

How can I calculate the contact frequency between protein and ligand from gromacs simulation?

I performed a simulation of a protein-ligand complex in gromacs and I wish now to calculate the frequency of contact (any kind of contact) between the ligand and the protein residues over a...

12 December 2014 7,069 8 View