Re: Topology and parameter files for flavonoid compounds

From: Giacomo Fiorin (
Date: Fri Jan 24 2020 - 06:08:20 CST

If you are using the CHARMM force field, look for documentation here:
or alternatively, if you are using the AMBER force field, look here:

For a CHARMM-based force field, a useful tool is the VMD plugin called

The documentation in each page should be well enough get you started.


On Fri, Jan 24, 2020 at 1:49 AM Shruthi M (116011752017) Res/Bio-Tech <> wrote:

> Hi
> Please someone let me know how to generate topology and parameter files
> for a flavonoid compound to perform simulations in NAMD.
> Thanks in advance.
> Shruthi

Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Research collaborator, National Institutes of Health, Bethesda, MD

This archive was generated by hypermail 2.1.6 : Thu Dec 31 2020 - 23:17:12 CST