[gmx-users] Atom OT1 in the residue

[RAHUL SURESH]

On Tue, Jan 23, 2018 at 12:29 PM, Мижээ Батсайхан <b.mijiddorj at gmail.com>
wrote:

> 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

>
>
> Best regards,
>
> Miji
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-- 
*Regards,*
*Rahul Suresh*
*Research Scholar*
*Bharathiar University*
*Coimbatore*