[gmx-users] Protein-ligand error pdb2gmx
Poncho Arvayo Zatarain
poncho_8629 at hotmail.com
Fri Nov 6 17:45:51 CET 2015
Hello: I made the Apoferritin-T4 Lysozyme tutorial of Justin, then i change the ligand and simulated Apoferritin with an anaesthesic (halothane) and everything is fine. I tried to run a third simulation using halothane as ligand and DPPC instead of Apoferritin. I have a folder of gromos53a6.ff with all the parameters of this forcefield. But when i try to run pdb2gmx, the following error appears: Fatal error: "Residue DPP not found in residue topology database". The only different thing i did was aggregate the gromos53a6.ff folder and change Apoferritin for DPPC (i obtained DPPC.pdb and dppc.itp structure from P. Tieleman webpage). How can i solve this error?
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