[gmx-users] No default bond types

Neena Susan Eappen neena.susaneappen at mail.utoronto.ca
Wed Mar 25 04:17:10 CET 2020


Hello gromacs users,

I just modified opls force field for a modified aminoacid with 4 new bond types and 9 new angle types. However, the command grompp gave a no default error for one bond and 6 angle types. Is there a way to resolve this?

Many thanks and Take care,
Neena



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