[gmx-users] unknown cmap torsion between atoms

Justin A. Lemkul jalemkul at vt.edu
Fri May 25 15:34:02 CEST 2012

On 5/25/12 5:52 AM, 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.


Either apply Mark's patch posted there or download the latest 
release-4-5-patches branch via git.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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