[gmx-users] How to create a new lipid molecule topology if I have .pdb file for a molecule?

Todor Antonijevic t_antoni at uncg.edu
Sat May 24 23:34:45 CEST 2014


I am relatively new user of Gromacs and I struggle for last few weeks to
create a topology file for a new lipid molecule. I would appreciate any
help on this matter. In more detail, how one creates a topology file for
Charmm36, slipid, GAFF and Berger force field just knowing .pdb file for
that molecule, and is there any useful tutorial or paper that discuss this

Thank you,


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