Dear All:
I am using GROMACS 4 to do MD simulations of protein-ligand
complexes.I encountered some problems when generating the topology
file of the ligands. I generate the topology file of ligands by using
topolbuild package. The atom types of GAFF force field are assigned to
the atoms of the ligand. However, when I used grompp command to write
the tpr file. There is an error saying:
Fatal error:
Atomtype c3 not found
For more information and tips for troubleshooting, please check the GROMACS
It seemed that, the amber ff03 force field in gromacs 4 didn't include
the atom types of the GAFF force field.
Does any one have ever encountered the same problem? What can I do to
solve this problem?
Thanks in advance!!!
R.X.G.
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