Lara Bunte wrote:
Hello
I got this error:
Fatal error:
Atom ON1 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.
What do this mean? How to fix it?
The Atom ON1 is declared in atomtypes.atp file.
In my .rtp file I used [ impropers ] and I use a charmm27 force field.
Impropers are specified in the .rtp file by atom name, not type. So the error
indicates that pdb2gmx (?) thinks an atom *named* ON1 should be present, which
it is not.
-Justin
--
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
--
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