GROMACS-A Molecular Dynamic Approach

NOTE :CREATE A BLANK FILE IN FOLDER AND NAME IT AS nvt.mdp and copy the content over there and save it.

Then perform the 9th command.

9.command : gmx grompp -f nvt.mdp -c em.gro -r em.gro -p topol.top -o nvt.tpr

Files generated in folder : nvt.mdp , nvt.tpr

10.command :gmx mdrun -deffnm nvt

Files generated in folder: nvt.log , nvt.trr , nvt.edr , nvt.cpt , nvt.prev.cpt , nvt.gro