On 1/11/2011 1:24 PM, ram bio wrote:
Dear Gromacs users,
I have built a protein embedded in popc bilayer and executed pdb2gmx
using charmm27 ff on the system and the toplogy file was created
without errors, but when wanted to minimise the system with grompp i
am getting an error as : unknown cmap torsion between atoms 8377 8379
8381 8394 8397.
Could someone please explain me what this error mean and how to
overcome this.
It means you are somehow using CMAP on a dihedral whose atom types do
not have a known CMAP function - "unknown CMAP torsion". You need to do
some detective work on those atoms and their types to work out why.
Mark
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