Subject: [modeller_usage] help about evaluate_model.log
From:
Date: Fri, 19 Jan 2007 11:58:15 +0100
Hello everybody,
i have a question about the output-file evaluate_model.log. I looked in the basic_example from the Modellers Homepage and also in my own output files. In the most of the cases there is the following message:
report______> Distribution of short non-bonded contacts:
serious non-bonded atom clash: 1 2 1.480
serious non-bonded atom clash: 2 3 1.539
serious non-bonded atom clash: 2 7 1.493
serious non-bonded atom clash: 3 4 1.528
serious non-bonded atom clash: 4 5 1.817
serious non-bonded atom clash: 5 6 1.816
....
Can everybody explain what does it exactly mean? Is for example the number 1 the first atom in the template and 2 the second in the model or what does it mean?
And what can i do that this message never comes?
Thanks for all answers!
Verena
--
Der GMX SmartSurfer hilft bis zu 70% Ihrer Onlinekosten zu sparen!
Ideal für Modem und ISDN: http://www.gmx.net/de/go/smartsurfer