[gmx-users] grompp: unknown bond_atomtype

Alex nedomacho at gmail.com
Wed Apr 1 20:03:32 CEST 2015

I am working with a local copy of oplsaa.ff where I have defined a set of
custom atom types in atomname2type.n2t and added the bond and angle
parameters into ffbonded. x2top creates the topology without issues, but
grompp reports a fatal error (see subject).
The particular type it complains about is actually opls_335. Gromacs v.
4.6-beta3. Any ideas?

Thank you,


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