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Molekel - Message forums

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5.4 cannot parse g09 vibrational data
Submitted by Benj FitzPatrick; posted on Friday, October 30, 2009
Molekel 5.4 can open geometry optimization/frequency calculation files from g09, but when I try to use it to visualize the normal modes it shows no motion at all. I think this might be from changes in how the vibrational data is written b/c gaussview3 can't parse the vibrational data in g09 log files. I've tried the linux, windows, and osx versions, all with the same results.



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5.4 cannot parse g09 vibrational data
Submitted by Benj FitzPatrick; posted on Friday, October 30, 2009
Molekel 5.4 can open geometry optimization/frequency calculation files from g09, but when I try to use it to visualize the normal modes it shows no motion at all. I think this might be from changes in how the vibrational data is written b/c gaussview3 can't parse the vibrational data in g09 log files. I've tried the linux, windows, and osx versions, all with the same results.

 

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