Hi all: I ´m working on membrane peptides simulation under lipid (POPC, from Peter Tieleman group site) and i want to do a popc.itp file using ffG53a5 force field. Some days ago i was working with dppc membranes and i took one lipid and run it through pdb2gmx, using my favourite force field and include the dppc.itp file in my .top file, but i know that the topology of popc lipid isn´t in the database of gromacs. I ´ve obtained the popc.itp (one lipid) of the PRODRG server, but the conformation is bad, i note that when i visualize it in VMD and i analyze some parameters. Also the atom types are different.
I think i can to converter the dppc.itp file in popc.itp file, but i don´t know what to do. Should i take the topology of dppc lipid and modified it including some atoms of the oleoyl chain of the popc lipid (CA1 y CA2 atoms)? Can i find the parameters of the similar bounds of the last atoms and include it in the dppc.itp file? Could anybody help me? Thank you for your time Maite
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