[gmx-users] Grompp error "No default Ryckaert-Bell. types"
nedomacho at gmail.com
Mon May 4 19:06:26 CEST 2015
JL> 2. As far as bonded interactions are concerned, in the .rtp only [bonds] are
JL> required to define connectivity. Remaining bonded interactions are then deduced
JL> from bond connectivity. If a directive like [angles] or [dihedrals] is present,
JL> those values are used, instead. If an [angles] directive is "missing" that just
JL> tells pdb2gmx "create all possible angles from the given bonded connectivity."
Well, yes, but the atomtypes were defined in that rtp and no correct
triplets or quadruplets were available in ffbonded for those
combinations. Then, either define directly
in rtp, or stick them into your ffbonded. Am I missing something here?
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