From: Akshata Rudrapatna (
Date: Sun Feb 15 2015 - 13:01:52 CST

I have heard that NAMD is easier to use than GROMACS.

Akshata Rudrapatna

On Sun, Feb 15, 2015 at 4:49 AM, M K <> wrote:

> By reviewing the literature, I found most of the papers report using NAMD
> for simulating big systems, including bio molecules in aqueous media. (I
> have been using another open source program so far).
> This question came into my mind, why many researchers use NAMD for
> simulation of large molecules, and not lammps or gromacs, for example? Is
> there any particular ability in NAMD??
> Maybe the following can be one reason:
> *"NAMD uses the popular molecular graphics program VMD for simulation
> setup and trajectory analysis, but is also file-compatible with AMBER,
> CHARMM, and X-PLOR."*
> Thank you.