I've been having some trouble with the output I've obtained from my calculations: I've tried to optimize three excited states from the same molecule. All of them reached convergence (and in all three cases the .log file states that the calculation has terminated normally). But the problem is that I can't load the .fchk file in the MO's visualization menu. When I try to do it, the following error pops up:
'SCUtil_ConnectionGFCHK::Parse_GFCHK()
Missing or bad data: MM charges
Line number: 54'
I'm fairly new to the software and to computational chemistry, sorry if it's too much of a basic question. Should I try to maybe change something manually in the .fchk file?
Check https://joaquinbarroso.com/2014/05/19/some-fchk-files-wont-open-in-gaussview5-0-update/, to see if you can find a solution.
It seems like others also have had the same problem with Gaussian 05, for calculations with diffuse functions in the basis set.
Hi Juan. Try to change "MM charges" to "MM-charges". It worked for me.
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