Hi,
I got the following error in a more prod.2.4.out file, during a umbrella sampling, so this is just one of the stages, and looking at the last rst7 file I see there is an incomplete line, but I cannot understand what is the reason or why is that. I repeated the simulation several times with different conditions, allwasy the same result.
| ERROR: I could not understand line 10006
3.9479593 29.5242775 24.6576289
...
equil.2.4.center.rst7- 41.5327393 17.0114844 40.4935924 58.0146988 36.0085997 28.0966775
equil.2.4.center.rst7- 57.6685564 35.1202530 28.1818682 58.2208473 36.0971134 27.1661401
equil.2.4.center.rst7- 3.5602093 29.7597745 23.8147630 3.1807714 28.9435022 23.4892507
equil.2.4.center.rst7: 3.9479593 29.5242775 24.6576289
equil.2.4.center.rst7- 0.2503451 0.3291538 0.3259489 -0.3178082 -0.9339879 0.1818896
equil.2.4.center.rst7- 0.2347454 1.1064345 0.5535726 0.1880267 0.4026077 -0.0444396
equil.2.4.center.rst7- -0.0272873 0.5115900 0.0419515 -0.6300254 0.1267241 -0.1291742
...
Any suggestions how to investigate the problem?
Best,
Fabian
Fabian Glaser PhD
Bioinformatics Knowledge Unit - BKU
The Lorry I. Lokey Center for Life Sciences and Engineering
Technion - Israel Institute of Technology, Haifa, Israel
Web
http://bku.technion.ac.il/
Tel +972 (0) 4 8293701
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Received on Tue Nov 19 2019 - 08:00:02 PST
