nehaphysics17 at gmail.com
Wed Jan 31 08:31:16 CET 2018
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?
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