[gmx-users] Ramachandran plot

RAHUL SURESH drrahulsuresh at gmail.com
Wed Jun 7 10:41:38 CEST 2017


Dear Mark
Thank you

gmx rama -f traj.xtc -s topol.tpr -o ramachandran.xvg

This was my command..

I didn't choose any dihedral particularly


On Wed, 7 Jun 2017 at 2:00 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> Sounds like your choice of dihedrals doesn't match your system. How did you
> select them?
>
> Mark
>
> On Wed, 7 Jun 2017 08:41 RAHUL SURESH <drrahulsuresh at gmail.com> wrote:
>
> > Dear Users
> >
> > When I try to execute ramachandran plot analysis, I get the following
> note
> > like "Dihedral around 5809,5816 not found in topology. Using mult=3"
> > (nearly 30-40 dihedrals). What is it about?
> >
> > Input is just protein structure extended upto 150ns.
> >
> > --
> > *Regards,*
> > *Rahul Suresh*
> > *Research Scholar*
> > *Bharathiar University*
> > *Coimbatore*
> > --
> > Gromacs Users mailing list
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-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*


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