[gmx-users] QUERY IN GRO FILE

Neha Gupta nehaphysics17 at gmail.com
Thu Mar 30 07:53:05 CEST 2017


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


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