Yang Li

3 Questions 1 Answers 0 Followers

Questions related from Yang Li

Why out of range atoms after many steps?

Hi! I am running a coarse grained simulation with charge regulation to study the charge distribution in a fiber. The system is a coarse grained model with implicit solvent. I fixed the fiber in...

09 January 2024 9,423 0 View

Why out of range atoms after many steps?

Hi! I am running a coarse grained simulation with charge regulation to study the charge distribution in a fiber. The system is a coarse grained model with implicit solvent. I fixed the fiber in...

09 January 2024 7,653 0 View

Energy minimization in gromacs?

I am trying to simulation protein in non-aqueous solvents and I put my protein in MeOH with Charmm36 force field. After I tried to minimize the energy. it gives: Energy minimization has stopped,...

07 March 2020 8,348 3 View