[gmx-users] QUERY IN GRO FILE

[Neha Gupta]

Hi gromacs users,


I have a doubt in this command,

grompp -f em.mdp -c conf.gro -p topol.top -o em


mdrun -v -deffnm em


These commands generate em.gro, em.tpr, em.trr, em.log file.


There is another command which is


mdrun -s em.tpr

which generates confout.gro

Does em.gro and confout.gro are one and the same?

What are the technical differences?


Thanks,

Neha