[gmx-users] Atom OT1 in the residue
drrahulsuresh at gmail.com
Tue Jan 23 08:08:55 CET 2018
On Tue, Jan 23, 2018 at 12:29 PM, Мижээ Батсайхан <b.mijiddorj at gmail.com>
> 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.
If you have modified the structure, then definitely you need to generate a
topology file for that molecule.
> Best regards,
> Gromacs Users mailing list
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
More information about the gromacs.org_gmx-users