8000 [suggestion] Create separate moleculetype in gromacs topology file for given residue · Issue #136 · alanwilter/acpype · GitHub
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[suggestion] Create separate moleculetype in gromacs topology file for given residue #136
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[suggestion] Create separate moleculetype in gromacs topology file for given residue#136
@Pippetta87

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@Pippetta87
Pippetta87
opened on May 8, 2025

Hi,
could be usefull when converting from amber to gromacs topology/coordinate files to generate separate moleculetype in gromacs topology file for given residue, ie ligand?

Best regards

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