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On January 17, 2011 at 2:54 PM Marcelo Silva <jokler79@hotmail.com> wrote:<br />
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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?<br />
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I'm telling you this because once I forgot to put it on the following nvt equilibration: grompp -f nvt.mdp -c <strong>em.gro</strong> -p topol.top -o nvt.tpr and I got the same error.<br />
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<p style="margin: 0px;">No I have double and triple checked our scripts and we continually use the same scripts so that our human error is minimized.</p>
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<p style="margin: 0px;">I have also had this issue in our scripts before and I made sure to fix and check all others at that time.</p>
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<p style="margin: 0px;">Thank you though,</p>
<p style="font-family: monospace; white-space: nowrap; margin: 5px 0px 5px 0px;">TJ Mustard<br />
Email: mustardt@onid.orst.edu</p>
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