[gmx-users] MOVIE.pdb

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

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?


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