GROMACS-A Molecular Dynamic Approach

NOTE :CREATE A BLANK FILE IN FOLDER AND NAME IT AS minim.mdp and copy the content over there and save it. Then perform the 7th command.

7.command : gmx grompp -f minim.mdp -c 1AKI_solv_ions.gro -p topol.top -o em.tpr

Files generated in folder :minim.mdp , em.tpr

8.command : gmx mdrun -v -deffnm em

Files generated in folder : em.edr , em.tpr , em.log , em.gro