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1 year 11 months ago #9390 by tanvipar123
To generate itp file for a molecule was created by tanvipar123
Can anyone please tell me, how do we obtain the numbers under 'i' and 'j' in the bonds section in an itp 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 11 months ago #9393 by riccardo
Replied by riccardo on topic To generate itp file for a molecule
Duplicate of cgmartini.nl/index.php/component/kunena/...-file-for-a-molecule

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  1. General topics
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