[gmx-users] Atom was not found

h.alizadeh at znu.ac.ir h.alizadeh at znu.ac.ir
Wed Jun 18 15:21:27 CEST 2014

Dear Users,
I want to simulate a protein by GROMACS. 
When I use pdb2gmx command, topology and other files are produced from my
pdb file.
But when I define a box for my protein by editconf before pdb2gmx, I face
with this fatal error:

"Atom OXT in residue VAL 226 was not found in rtp entry VAL with 8 atoms
while sorting atoms"

of course as I said, without defining a box, pdb2gmx is ok!!

Thanks for any help,

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