[gmx-users] query regarding state.cpt file

[sudha bhagwati]

 MD_output.tar.gz
<https://drive.google.com/file/d/1aJewpvBzeeH4C6o53nCl2qaPTCFDaDeD/view?usp=drive_web>
Greetings Sir/Madam

I am running MD simulation using commands listed below-
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gmx pdb2gmx -ignh -f protein.pdb
gmx editconf -f ligand.pdb -o ligand.gro

gmx editconf -f conf.gro -o newbox.gro -bt dodecahedron -d 1.0
gmx solvate -cp newbox.gro -cs spc216.gro -p topol.top -o solv.gro

gmx grompp -f em.mdp -c solv.gro -p topol.top -o ions.tpr
gmx genion -s ions.tpr -o solv_ions.gro -p topol.top -pname NA -nname CL
-neutral

gmx grompp -f em_real.mdp -c solv_ions.gro -p topol.top -o em.tpr
gmx mdrun -v -deffnm em

gmx make_ndx -f em.gro -o index.ndx

gmx grompp -f nvt.mdp -c em.gro -p topol.top -n index.ndx -o nvt.tpr

gmx mdrun -v -deffnm nvt

gmx grompp -f npt.mdp -c nvt.gro -t nvt.cpt -p topol.top -n index.ndx -o
npt.tpr

gmx mdrun -v -deffnm npt

gmx grompp -f md.mdp -c npt.gro -t npt.cpt -p topol.top -n index.ndx -o
md_0_20.tpr

gmx mdrun -v -deffnm md_0_20
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I have attached the tar file for generated output files from complete
gromacs run.
I am not an expert user of gromacs. So which file I can use as state.cpt
and what is the command to rerun my stopped MD run?

Thank you!



-- 
Thanks & regards
~
Sudha Bhagwati