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error reading GAMESS log file with fragment (FMO) in MacMolPlt #157

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AlainWil opened this issue Dec 27, 2024 · 1 comment
Open

error reading GAMESS log file with fragment (FMO) in MacMolPlt #157

AlainWil opened this issue Dec 27, 2024 · 1 comment

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@AlainWil
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MacMolPlt is not abel to read GAMESS log file with fragment (FMO) in MacMolPlt
Test file exam37.log (calc with fragments) do not open in MacMolPlt also
I tried a lot of NPRINT options in $CONTROL and $FMOPRP sections with no success
Is there a solution?
Thanks!
@AlainWil
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I found a possible path for solution with NFRND=2 in the $FMO section of the input file.
But still opens up all SCF iterations on top of each other in MacMolPlt.
I have done same calculation without the FMO and it opens up just fine (the log file) in MacMolPlt seeing each frame coresponding to each iteration of the SCF calculation.
Is there a solution?

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@AlainWil