[gmx-users] Atom OT1 in the residue

[RAHUL SURESH]

On Tue, 23 Jan 2018 at 3:59 PM, Мижээ Батсайхан <b.mijiddorj at gmail.com>
wrote:

> Thank you for your answer. I modified the L-TRP structure to D-TRP
> structure, and the last version of charmm36 contains a topology of D-TRP. I
> used that one.


Check for the naming of OT1 in the residue topology database of Dtrp


>
> Thanks.
>
>
>
> > > Dear gmx user,
> > >
> > > I am using gromacs 5.1 with charmm36-march2017 force field. I have an
> > error
> > > as following:
> > >
> > > "Atom OT1 in residue DTRP 4 was not found in rtp entry DTRP with 24
> atoms
> > > while sorting atoms."
> > >
> > > How can I fix this error?
> > >
> > > Additionally, I modified the structure of last DTRP residue from the
> TRP
> > > residue. I guess that there is no structural problem.
> > >
> >
> > Hi
> >
> > If you have modified the structure, then definitely you need to generate
> a
> > topology file for that molecule.
> > Thank you
> >
> >
> --
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-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*