[gmx-users] unknown cmap torsion between atoms

Mark Abraham Mark.Abraham at anu.edu.au
Fri May 25 17:18:02 CEST 2012

On 25/05/2012 7:52 PM, Steven Neumann wrote:
> Dear Gmx Users,
> My system is made of 3 proteins. As I want to use distance restraints 
> dynamics between atoms belonging to each of them I have to produce 
> topoloy with one moleculetype. I used pdb2gmx -chainsep interactive (I 
> used merge: yes).
> Then when I process to grompp the error: "unknown cmap torsion between 
> atoms  ......."
> These atoms belong to the last residue of the chain A and to the first 
> residue of Chain B. How to get rid of this? Please, help.

What version is this? I seem to recall fixing this bug at some stage.


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