[gmx-users] Atom Types in ffbonded.itp

Lara Bunte lara.bunte at yahoo.de
Mon May 14 22:38:48 CEST 2012


I want to write my parameters in the ffbonded.itp file in the CHARMM27 force field folder. I wrote my atom types in this file. This atom types are defined by me in atomtypes.dat

grompp gives me an error 

Fatal error:
Unknown bond_atomtype

for all my atom types. Do I have to declare that atom types somewhere else than in atomtypes.dat?

What is the problem?


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