[gmx-users] tutorial for membrane-bound systems

serdar durdagi durdagis at yahoo.de
Thu Mar 20 03:00:49 CET 2008

Dear all,
  I would like to make MD simulations of a drug at the binding site of the receptor sorrounded by DPPC.
  pdb coordinate file of all DPPC units (189 units, 1 unit has 130 atoms) are described seperately. I was using Dundee PRODRG server for generating .itp and drgpoh2.pdb files for the drug. Since this program is limited to convert files up to 300 atoms, I couldn't use it for the DPPC units for constructing a full drgpoh2.pdb file for the DPPC.
  Is there any tutorial of GROMACS for this kinds of systems?
  Kind Regards,
  Serdar Durdagi

  Lesen Sie Ihre E-Mails jetzt einfach von unterwegs.. 
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