[gmx-users] MOVIE.pdb

[Neha Gupta]

Hi Justin,

I followed your protein-ligand complex tutorials to do the simulation.

I intend to run the simulation for 50 ns.

In the final md run section, can we modify the command like this

nstxout-compressed  = 500000      ; write .xtc trajectory every 1000.0 ps


You have written the .xtc trajectory every 10 ps.

How would the above command change the o/p?


Thanks,
Neha