Question: GROMACS fatal error
gravatar for amitunited0532
2.1 years ago by
amitunited053240 wrote:

How to fix this problem?

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

gromacs md simulation • 1.2k views
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