[gmx-users] can not open em.tpr file

thomas knitter silkweaver35 at gmail.com
Wed Oct 14 01:28:02 CEST 2015


My input files are abc.gro, index.ndx topol.top, minim.mdp. I prepared a
script to get the job running

module load GROMACS/5.0.4-intel-2015A-mt

#
gmx grompp -f minim.mdp -c abc.gro -p topol.top -n index.ndx -o em.tpr
gmx mdrun -v -deffnm em
gmx energy -f em.edr << EOF
9
0
EOF
##

I keep getting

 can not open file:
em.tpr file

Thanks


More information about the gromacs.org_gmx-users mailing list