Regarding extending simulations with change in .mdp file in GROMACS

Hello, I have ran a energy minimization, followed by nvt, followed by md run. My md run mdp (ie., md.mdp) has dt = 0.002, nsteps = 30000000 ; [0.002 * 30000000 = 60000 ps (60 ns)]nstxout = 5000 ;...

21 May 2017 7,536 2 View