WebMO - Computational chemistry on the WWW
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August 24, 2019

Unable to view NRM results from Orca Log Out | Topics | Search
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WebMO Support Forum » Running WebMO Jobs » View Results » Unable to view NRM results from Orca « Previous Next »

Author Message
Blair Knouse
Unregistered guest
Posted on Wednesday, November 07, 2018 - 1:23 pm:   

We're using WebMO 18.1.002p on Linux with Orca 4.0.1.2. An NMR prediction job runs sucessfuly, but NMR data isn't displayed (one peak, all shifts are listed as "0"). I was also able to reproduce the error on the demo server (job 456696). The output files show chemical shifts, but the WebMO page doesn't. I've attached my output file for reference.
text/plainOrca NMR output
output57.txt (49.0 k)
.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 633
Registered: 11-2006
Posted on Saturday, November 17, 2018 - 2:03 pm:   

This will be addressed in the next release.

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