hello all, Recently, I am doing conformational sampling with Xplor-NIH. And I got many pdbs, but when I check them I found that some pdbs have wrong topology structures like the attachments(in the pink cycle ): The RNA linker did not run with the right way and It went through the helix. I have tried to pick the structures by the “total energy” or “repel” terms, but it make no sense. Are there someone know how to kick out these wrong structures or to void these errors in the sampling process? Thank you! |
PastedGraphic-4.pdf
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