[gmx-users] help with "interaction of type atom in the topology database, but an atom of that name was not found in residue" error

paulxie amianxie at gmail.com
Mon Jan 6 21:13:47 CET 2014


Dear All,

I noticed that there has been a few posts about this topic posted in this
forum, but I have tried those proposed solutions and it still doesn't work.

I have downloaded a force field, gromos43a1p (from
http://www.gromacs.org/Downloads/User_contributions/Force_fields)  and
installed it at my working folder. When I used pdb2gmx, I was able to find
and use gromos43a1p for my target proteins containing phosphated residue(s)
(downloaded from pdb website), but got the error message pasted below: 

Fatal error:
Atom N is used in an interaction of type improper in the topology
database, but an atom of that name was not found in residue
number 1.

Does anyone know what is the problem? Thanks a lot!
Paul


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