From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Fri Jan 24 2020 - 06:08:20 CST
If you are using the CHARMM force field, look for documentation here:
http://cgenff.maryland.edu/
or alternatively, if you are using the AMBER force field, look here:
http://ambermd.org/antechamber/gaff.html
For a CHARMM-based force field, a useful tool is the VMD plugin called
"fftk":
http://www.ks.uiuc.edu/Research/vmd/plugins/fftk/
The documentation in each page should be well enough get you started.
Giacomo
On Fri, Jan 24, 2020 at 1:49 AM Shruthi M (116011752017) Res/Bio-Tech <
shruthim_at_pmu.edu> 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 http://goo.gl/Q3TBQU https://github.com/giacomofiorin
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