normal To generate include topology file for a molecule

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1 year 10 months ago #9391 by tanvipar123
Can anyone please tell me, how do we obtain the numbers under 'i' and 'j' in the bonds section in an include topology file ?. I am working on a DIPC-CER-CHOL membrane for which i need to make an itp file.The output after running grompp throws an error that the atom index (9) in bonds out of bounds (1-8).

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1 year 10 months ago #9392 by riccardo
This tutorial answers your question: cgmartini.nl/index.php/2021-martini-onli...a-new-small-molecule (in particular, section 5.1)). I'd recommend going through the tutorial.

Please don't post the same question twice (--> cgmartini.nl/index.php/component/kunena/...-for-a-molecule#9390 ), thanks!

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