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To generate include topology file for a molecule
- tanvipar123
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1 year 11 months ago #9391
by tanvipar123
To generate include topology 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 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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- riccardo
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1 year 11 months ago #9392
by riccardo
Replied by riccardo on topic To generate include topology file for a molecule
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!
Please don't post the same question twice (--> cgmartini.nl/index.php/component/kunena/...-for-a-molecule#9390 ), thanks!
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