> I am trying to convert a pdb file containing all DMPC > coordinates to .gro file. I have searched through the web and > found out that I am not to use pdb2gmx directly and also that > I have to make a .top file containing dmpc.itp and lipid.itp files. > > I am a beginner in gromacs so kindly help me as to how > can I generate the .gro file? I have the .top file > ready as is explained on Peter Tielemann's website. > > I think somehow I have to include the dmpc parameters > to the residue topology database so that it recognises > the dmpc molecules, but how to do that?
No, you don't have to do that since a .gro file is simply a coordinate file. Like a PDB file. So to convert a PDB file to a .gro file, simply use the editconf -f file1.pdb -o file2.gro Catch ya, Dr. Dallas Warren Lecturer Department of Pharmaceutical Biology and Pharmacology Victorian College of Pharmacy, Monash University 381 Royal Parade, Parkville VIC 3010 [EMAIL PROTECTED] +61 3 9903 9524 --------------------------------- When the only tool you own is a hammer, every problem begins to resemble a nail. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
