Update ffbonded.itp #6
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при выполнении команды gmx grompp, выдается ошибка: No default Improper Dih. types. Используемая структура PDB ID: 5Y36. При добавлении строчки в 783 строку файла ffbonded.itp, проблема исчезает.
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When running the gmx grompp command, an error occurs: No default Improper Dih. types. PDB structure ID: 5Y36.
By adding a line to line 783 of the ffbonded.itp file, the problem disappears. The same correction was made in the ffbonded.itp file of the amber14sb_parmbsc1 force field.