[gmx-users] Fw: TM protein, lipids, force field
pyt1 at op.pl
Wed Mar 22 17:27:51 CET 2006
Dear Gromacs Users.
I'm new gromacs user and I would be glad to get some advice from you.
I wan to do MD of TM-protein in DPPC lipid bilayer and then I would
like to investigate interactions between this protein and the ions present in the system.
I've read the manual and checked mailing list but some things are still not clear to me.
Which forcefield should I use for the protein and membrane simulation.
I found parameters for DPPC lipids but only for ffgmx forcefield (lipid.itp).
Is it correct to use those parameters with newer forcefield like GROMOS96 43a1.
Should I manually add new atom types for the DPPC molecules?
Thank you for your help.
All the best.
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