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;( where em.tpr is the initial structure and md_0.tpr is after nvt npt and md)
;Black = New Structure; Red =Old Structure
;gmx trjconv -f em.gro -o em.pdb -pbc mol -s em.tpr (gmx to pdb ) (select 1)
; gmx pdb2gmx -f em.pdb -water spce -ignh ( if error occurs)