GROMACS fatal error
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3.4 years ago

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Fatal error: Residue 3 named ASP of a molecule in the input file was mapped to an entry in the topology database, but the atom CG used in that entry is not found in the input file. Perhaps your atom and/or residue naming needs to be fixed.

For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors

GROMACS MD simulation • 2.5k views
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