[gmx-users] start gromacs membrane more protein simulation
Antonio Sergio Kimus Braz
askbraz2list at gmail.com
Wed Sep 21 02:15:09 CEST 2005
I am beginner in the GROMACS
I am trying to simulate a theorical model of a pump protein in explicit
lipid bilayer membrane environment (DMPC or POPC), I have the pdb
files of this protein and membrane , I have to topolies files this
lipids (dmpc.ip or popc.itp)…I also saw the mdrun_make_hole.tar.gz in
However my doubt stays,
n which stage I do enter with membrane files? pdb and itp.
don't get to generate files type .gro or .top, starting from the
membrane alone or membrane more protein pdb files, using pdb2gmx or
I also tried to insert the membrane using the genbox command with –ci
option with dmpc.pdb
I don't really know as creating an input files membrane + protein for
run in gromacs…
Anybody could help ?
thank you very much !
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