[gmx-users] Force Field for Polymers

Karpurmanjari Kakati ch18resch01002 at iith.ac.in
Sat Nov 3 07:15:28 CET 2018

I am new to gromacs.
I am generating Polymers structures of varying chain length via Avogrado
software. I am not sure about how to generate the .itp file. for a specific
force field, in my case say OPLSAA.

Also in case my polymer is a poly electrolyte how do I assign charges or
how do I let the system know that I have a charged polymer. Can anyone help
me with this?

I tried using pdb2gmx command for generation of .itp but it didn't work
I am using OBGMX server to generate .itp by giving pdb as an input.

Can anyone help me with generating specific .itp file for a force field
with charges in the polymer.


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