I am using GROMACS to perform MD simulations of proteins. So, I tried to record the simulation results
nstfout with the same step size (
nstxout 1, nstvout 1, nstfout 1). Then, I calculated the coordinate (step n) of an arbitrary step of the trajectory (step n) from the velocity of step n - 1, step n, and calculated the velocity of n - 1/2, and used that velocity to calculate the coordinate (n-1) of step n using the velocity of n - 1/2. LeapFrog was used in the simulation.
How can I get the coordinates, velocity, and force to be consistent?