From: M K (
Date: Sun Feb 15 2015 - 05:49:19 CST

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.