[gmx-users] regarding DOPC lipid parameters

naga raju nagaraju_cy at yahoo.co.in
Sat Apr 21 10:38:17 CEST 2007


Dear Gromacs Users,
                        
                                I searched mailing list for DOPC lipid bilayer paramters. I found in one of the mailing list "For CHARMM parameters (which I believe Feller uses), there is POPC in top_all27_prot_lipid.rtf. For the united atom lternative,  
Tieleman's website has popc.itp. In either case, just copy it to a new DOPC  definition and modify the palmitoyl into another oleoyl"
      I looked into DPPC.itp and POPC.itp files, it very confused (bonds, angles and dihedrals) to me to prepare DOPC.itp.  Can any body tell how to combined these file and getting DOPC parameters. 
             any suggestion is appriciated,
                              Thanks in advance,
                                                                           With regards,
                                                                          Nagaraju Mulpuri.


       
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