Change nsteps from equilibration to REMD

User discussions
1

I’ve a problem with nsteps in REDM simulation as I need to set it at 100.000.000 steps and I finished the equilibration stage with nsteps 15.000.000 and got six files with .xtc , edr, log,trr, gro , cpt and mdp
what should I do to change nsteps from 15.000.000 to 100.000.000 in REMD as I changed nsteps in mdp file but when I run REMD simulation, it read 15.000.00, not 100.000.000

3

Hi,
which mdp parameters did you use?
\Alessandra