[gmx-users] Insertion of protein in lipid bilayer
JXS818 at bham.ac.uk
Thu Jul 28 12:34:46 CEST 2005
What you need to do is to change the DPPC to DPP in the command line,
perl make_hole.pl -f dppc.pdb -o outbilayer.pdb -r 1.4 -lipat P8 -lipid DPPC -cx 3.2 -cy 3.2
as this is what is defined in the PDB file. After you have done this you will need to change the number of DPP molecules in the .top file. Also make such that you renumber the last water atoms to be consistent with the input file AFTER the initial hole has been made.
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