3 Questions 6 Answers 0 Followers
Questions related from Zohreh Fallah
Hello, I have a script changing the distances of two bonded atoms and I calculated the total energy (or potenial energy, kinetic energy is zero) with energy minimisation tool of lammps (ReaxFF...
28 March 2024 4,424 2 View
Hello, I want to apply restrain on ligand in GROMACS5, so I build it with genres and include in topology and define in mdp. But I think it did not work., because ligand move a lot, even with...
26 August 2015 8,128 4 View
My system consists of protein and lipids and I want to calculate energy of some residues. I made index file for these residues and build a tpr file again with that index and used g_energy..but in...
15 November 2014 1,898 10 View