[gmx-users] No default bond types

[Neena Susan Eappen]

Hi Alessandra,

For the 4 new bond types and 9 new angle types, I modified the ffbonded.itp file. However, the command grompp gave error for one bond and 6 angle types although I have all in there. Is there a way to resolve this?
________________________________
From: Neena Susan Eappen
Sent: Wednesday, March 25, 2020 3:17 AM
To: gromacs.org_gmx-users at maillist.sys.kth.se <gromacs.org_gmx-users at maillist.sys.kth.se>
Subject: [gmx-users] No default bond types

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