Restart QMMM frequency job on QM region?

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2:42:37 PM PDT - Tue, Apr 24th 2012
Update, calculate with .fdrst present
UPDATE: OK, I tried, and did in fact get more gradient information, but the intervals make it seem like everything was being recalculated. For example, from the initial calculation (which got through atom 32 1(+) ) atom: 1 xyz: 1(+) wall time: 16005.8 date: Fri Apr 20 19:49:54 2012 atom: 1 xyz: 1(-) wall time: 16177.1 date: Fri Apr 20 19:52:46 2012 atom: 1 xyz: 2(+) wall time: 16339.6 date: Fri Apr 20 19:55:28 2012 atom: 1 xyz: 2(-) wall time: 16560.5 date: Fri Apr 20 19:59:09 2012 atom: 1 xyz: 3(+) wall time: 16726.7 date: Fri Apr 20 20:01:55 2012 atom: 1 xyz: 3(-) wall time: 16893.0 date: Fri Apr 20 20:04:42 2012 and from the “restart” (which got through atom 41 2(-) ): atom: 1 xyz: 1(+) wall time: 268.4 date: Mon Apr 23 20:23:13 2012 atom: 1 xyz: 1(-) wall time: 560.5 date: Mon Apr 23 20:28:05 2012 atom: 1 xyz: 2(+) wall time: 777.3 date: Mon Apr 23 20:31:42 2012 atom: 1 xyz: 2(-) wall time: 1181.9 date: Mon Apr 23 20:38:26 2012 atom: 1 xyz: 3(+) wall time: 1477.0 date: Mon Apr 23 20:43:22 2012 atom: 1 xyz: 3(-) wall time: 1890.4 date: Mon Apr 23 20:50:15 2012 Is there an RTDB setting to avoid recalculation? Any other changes that should be made to the input deck?
Edited On 2:50:10 PM PDT - Tue, Apr 24th 2012 by Cchang

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