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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