[gmx-users] Atom OT1 in the residue
b.mijiddorj at gmail.com
Tue Jan 23 11:28:15 CET 2018
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.
> > Dear gmx user,
> > I am using gromacs 5.1 with charmm36-march2017 force field. I have an
> > 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.
> Thank you
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