[gmx-users] Connections

[Chiara Bello]

Hi gromacs users,

I'm trying to simulate a system in which in addition to other molecules there will be a polymer consisting of PMVE/MA linked to PEG chains, this polimer has about 11000 atoms.

I have the itp topology files of the PEG and PMVE/MA monomers and the pdb file of the whole polimer.

Since I am not an expert in the use of gromacs I would avoid changing the files of the force field. So I thought to include these itp file in the top topology file of the system (using the include file mechanism) and add the polymer to the system using insert-molecules.

Is there a way to communicate to gromacs the connections between the monomers of the polymer?


Regards,

Chiara