[gmx-users] rtp file

özge kül ozgekul8233 at yahoo.com
Thu Nov 29 14:26:50 CET 2007

Hi all,
  I  try to use gromacs for my callculations of thrombin structure.I obtained the pdb from protein databank.But the structure has some missing residues at the end of the chain and et the beginning of the chain.I completed the residues with sybyl 7.3.And then I started to my simulation.But in the pdb2gmx command I got this 
  fatal error.:Atom LPD1 in MET11 not found in rtp entry with 9 atoms.
  Then I looked at the .rtp file.I want to learn how can I add a missing thing to the .rtp file.I search for the list that have the same titile.But one of you please write me how can I do this.My simulation is depend on this fatal error.
  Thank you very much
  Özge Kül
  Hacettepe University
  Chemistry Department

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