I have extended my simulation from 6 ns to 20 ns. Now I want to rerun to
calculate energy between various energy groups. I have 2 xtc files one
having first 6ns and one with 14 ns (7th to 20th) (Even though I used
append during mdrun). My doubts are:
1) What will be the mdp option for nsteps, if I want to rerun only the
2) Can I combine them to get a continuous xtc file.
Tushar Ranjan Moharana
B. Tech, NIT Warangal
Ph D Student, CCMB
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