[gmx-users] Charmm to gromacs conversion for lipids

[Venkat Reddy]

Dear all,
I have a new lipid molecule and I want to simulate it using charmm36
forcefield. I have generated .str file using *paramchem* server and then
using the following command, I got the itp file.

./cgenff_charmm2gmx.py COL COL.mol2 COL.str charmm36.ff

Is this a reasonable approach for generating gromacs topology for a lipid
molecule? If I change the atom types in the generated itp file to lipid
atom types described in lipids.rtp, is it appropriate?

Thank you for your time

-- 
With Best Wishes
Venkat Reddy Chirasani
PhD student
Laboratory of Computational Biophysics
Department of Biotechnology
IIT Madras
Chennai
INDIA-600036