[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?



More information about the gromacs.org_gmx-users mailing list