[gmx-users] unknown cmap torsion between atoms

[Steven Neumann]

On Fri, May 25, 2012 at 2:34 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:

>
>
> 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.
>>
>>
> http://redmine.gromacs.org/**issues/885<http://redmine.gromacs.org/issues/885>
>
> Either apply Mark's patch posted there or download the latest
> release-4-5-patches branch via git.
>
> -Justin
>
>
Thanks! I need to talk to the administrator as the Gromacs I am using is on
the cluster. Would you suggest to install GMX 4.5.5 first and then apply
the patch?

Steven



> --
> ==============================**==========
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> Justin A. Lemkul, Ph.D.
> Research Scientist
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.**vt.edu/Pages/Personal/justin<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
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