non-ideal rotamers

Message boards : Number crunching : non-ideal rotamers

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Keith T.
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Message 48059 - Posted: 27 Oct 2007, 15:54:24 UTC

What does "WARNING! Not sure non-ideal rotamers are compatible with symmetry yet..." mean ?

I've seen it on a few results which get validated and credited OK.
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Message 48060 - Posted: 27 Oct 2007, 16:29:43 UTC

I bet it 's got something to do with the cpu time spent going to far with only getting one decoy.
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Message boards : Number crunching : non-ideal rotamers



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