Restarting QMMM

From: Francesco Pietra (
Date: Thu Nov 19 2020 - 05:13:41 CST

Here in details what I alluded to in a previous mail, i.e., how to restart
a qmmm. Here what is passed to orca for a restart:

qmConfigLine "! MORead"
qmConfigLine "! PBE0 RIJCOSX D3BJ def2-SVP enGrad"
qmConfigLine "%%moinp "qmmm_0.input.old.gbw""
qmConfigLine "%%maxcore 3000"
qmConfigLine "%%scf Maxiter 500 end"
qmConfigLine "%%geom Maxiter 500 end"
qmConfigLine "%%pal nproc 34 end"
qmConfigLine "%%output Printlevel Mini Print\[ P_Mulliken \] 1
Print\[P_AtCharges_M\] 1 end"

The problem is with moinp:
qmConfigLine "%%moinp "qmmm_0.input.old.gbw""
qmConfigLine "%%moinp qmmm_0.input.old.gbw""
qmConfigLine "%%moinp "qmmm_0.input.old.gbw"
ERROR: extra characters after close-quote

qmConfigLine "%%moinp qmmm_0.input.old.gbw"
ERROR: Quotes expected after scanning %%moinp

At this point I am short of imagination, in particular the last error is
cryptic. Thanks for advice

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