[gmx-users] unknown cmap torsion between atoms
Mark.Abraham at anu.edu.au
Tue Nov 1 03:57:44 CET 2011
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.
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