From NWChem
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Just Got Here
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| 7:57:43 PM PDT - Sat, Nov 2nd 2013 |
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| I gave up trying to launch properly ECCE and parsing trj files directly frame by frame. Instead I saved output of MD from terminal to file. It contains blocks of XYZ coordinates of atoms repeating with constant periodicity. Just a few lines in python to clean the garbage worked for me.
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