| 3:22:43 PM PST - Thu, Dec 22nd 2011 |
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Unfortunately, yes you will have to rerun the job. Depending on what you need, we have a script that can translate the vibrational modes into an ecce.out file, but anything else will require a rerun.
Bert
Quote: Dec 9th 10:10 amWhen I start my calculation with nwchem, I have forgotten the "ECCE_print" directive in the input file. But I want to get the ecce output file. Who can tell me how to solve it ? Should I only rerun my job again? |