[gmx-users] Atom OXT in residue ASP 18 was not found in rtp entry ASP with 9 atoms while sorting atoms.

[Emine Deniz Tekin]

Hi all,


I wrote a own code to put three identical lipopeptide at desired positions.
Then I used the pdb2gmx with –ter flag to get the system’s topology, I have
encountered the following error:


Fatal error:

Atom OXT in residue ASP 18 was not found in rtp entry ASP with 9 atoms

while sorting atoms.


But, I am sure that there is no such defined atom type (OXT) neither in “
.rtp” fıle nor “ .pdb” file.

And also, I searched the mailing-list. I found the following link but
still could not figure out the problem.

http://lists.gromacs.org/pipermail/gmx-users/2010-September/054209.html



(I am using gromos53a6 force field.)



Any help will be appreciated.



Thanks in advance



Deniz
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