Dear Friends,
I am doing simulation of a system containing a protein (T4 lysozyme
L99A/M102Q) in complex with a ligand with the help of Justin
tutorials.
I ran following commands to perform production run (1000ps)
grompp -f md.mdp -c npt.gro -t npt.cpt -p topol.top -n index.ndx -o md_0_1.tpr
R.Vidya Rajendran (10PHD013) wrote:
Dear Friends,
I am doing simulation of a system containing a protein (T4 lysozyme
L99A/M102Q) in complex with a ligand with the help of Justin
tutorials.
I ran following commands to perform production run (1000ps)
grompp -f md.mdp -c npt.gro -t npt.cpt -p
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