On January 17, 2011 at 2:54 PM Marcelo Silva <[email protected]> wrote:
I don't know if this could be the issue, but are you sure that after the energy minimization step you are using the .gro file you've obtained?
I'm telling you this because once I forgot to put it on the following nvt equilibration: grompp -f nvt.mdp -c em.gro -p topol.top -o nvt.tpr and I got the same error.
No I have double and triple checked our scripts and we continually use the same scripts so that our human error is minimized.
I have also had this issue in our scripts before and I made sure to fix and check all others at that time.
Thank you though,
TJ Mustard
Email: [email protected]
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