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
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