| 1:21:35 AM PST - Mon, Dec 30th 2019 |
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Hello:
I have a general question that I would really appreciate if someone could quickly answer. Is it possible to restart a qm/mm calculation? I have searched through previous threads and the answer is not clear to me.
I have started a qm/mm tddft calculation. The single point energy of the system successfully converged with the default parameters. I ran out of time though before the tddft calculation could begin (I have a very large system). When I tried to restart I got some errors that suggested that the calculation cannot be restarted. Anyway, before I spend anymore time on this endeavor I thought it wise if it is even possible to restart a qm/mm calculation - because if not there is not hope. So I would be very grateful if someone could straightforwardly answer this question before I go any further.
Thank you,
Kritina
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