From: Jérôme Hénin (jerome.henin_at_uhp-nancy.fr)
Date: Thu Mar 10 2005 - 05:16:35 CST
On Thursday 10 March 2005 10:23, sabri bora erdemli wrote:
> Hi all;
> We were trying to simulate a protein (PDB code :1q12), but we came up with
> the following error.
> Reason: FATAL ERROR: CAN'T FIND BOND PARAMETERS FOR BOND CP2 - CT2 IN
> PARAMETER FILES
> req_handle_abort called
> Fatal error on PE 0> FATAL ERROR: CAN'T FIND BOND PARAMETERS FOR BOND CP2 -
> CT2 IN PARAMETER FILES
> When I tried to find the bond CP2 - CT2, I saw that this was not an usual
> bond. In the pdb file there is no ligand or any other chemical compound.
> There is only protein complex.
CP2 carbon atoms should only exist in proline sidechains, where they should
not be linked to a CT2 carbon. I suggest you look for atoms of type CP2 in
your PSF file, and see in what context they are. You may also check that you
have no CT2 atoms in proline sidechains. If there are, check your topology
file for the corresponding residue.
-- Jérôme Hénin Equipe de Dynamique des Assemblages Membranaires Université Henri Poincaré / CNRS Tel : (33) 3 83 68 43 95 Fax : (33) 3 83 68 43 71 http://www.edam.uhp-nancy.fr/
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:14 CST