[gmx-users] how to generate the topology files for beta-cyclodextrin using gmx?

[Edjan Silva]

I can not generate topologies for a medium molecule
(beta-cyclodextrin) using the "gmx pdb2gmx". I've tested all the force
fields.

how to generate the topology files for beta-cyclodextrin using gmx?


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Program:     gmx pdb2gmx, version 2019-beta3
Source file: src/gromacs/gmxpreprocess/resall.cpp (line 618)

Fatal error:
Residue 'BCD' not found in residue topology database