From: a-yermakova_at_northwestern.edu
Date: Wed Jul 19 2006 - 14:09:40 CDT
PRESSURE: 0 -1.#IND -1.#IND -1.#IND -1.#IND -1.#IND -1.#IND -1.#IND -1.#IND -1.#IND
GPRESSURE: 0 1.#QNAN 1.#QNAN 1.#QNAN 1.#QNAN 1.#QNAN 1.#QNAN 1.#QNAN 1.#QNAN 1.#QNAN
ETITLE: TS BOND ANGLE DIHED IMPRP ELECT VDW BOUNDARY MISC KINETIC TOTAL TEMP TOTAL2 TOTAL3 TEMPAVG PRESSURE GPRESSURE VOLUME PRESSAVG GPRESSAVG
ENERGY: 0 57850.1631 -1.#IND 1.#QNB 213.2221 -621392.7010 99999999.9999 0.0000 0.0000 0.0000 1.#QNB 0.0000 1.#QNB 1.#QNB 0.0000 -1.#IND 1.#QNB 2033217.0000 -1.#IND 1.#QNB
INITIAL STEP: 1e-006
GRADIENT TOLERANCE: 1.#QNAN
Thank you!
Anya
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