[gmx-users] How to proceed with molecule.itp file

[Sotirios Dionysios I. Papadatos]

Hi,

I have made a molecule.itp file according to the chapter 5 of Gromacs Manual and existing entries in the ff directory I want to use.

My problem is that I don't know how to continue, in theory I have to include it in the .top file but a .top file is produced by pdb2gmx which I cannot use because there isn't an entry in .rtp.

Please help