Included Topology (.itp) in gromacs to parameter file for NAMD

From: Ivan (
Date: Tue Jul 03 2018 - 03:40:29 CDT

Thank you very much for all the work you do and keeping the NAMD project

I've recently seen an article about a customized force field for GROMACS
with an .itp extension and a .xvg tabulated table for the dihedral
interactions. I would like to convert that to use it on NAMD and continue
to make accurate simulations using NAMD, so it has to have AMBER or CHARMM
format I guess.

I've searched the internet and on this site I found this:

"... the Gromacs force field uses a different type of function
(for proper and improper dihedrals) than the Charmm force field. Gromacs
appears to use harmonic and periodic functions while Charmm uses modified
Fourier series. "

How can I solve this? Any idea? Is this even possible to do?

Thank you in advance,


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