[gmx-users] part2-adding metal-bonding parameters to a force field

[Tsjerk Wassenaar]

Hi Ahmet,

Nothing wrong with specbond at this point. The bonds are correctly added,
and apparently the bondtypes are read correctly too, because grompp only
starts complaining at the point of angles. Check the atomtypes
corresponding to the atoms involved in those angles in the .itp file that
is generated.

By the way, the message from moderator is due to the constant replying in
the thread, including the previous mails. It's getting pretty lengthy like
that. Sometimes it's good to keep only the parts of earlier messages that
are directly being replied too.

Cheers,

Tsjerk