Can NAMD be used as for general Newtonian mechanics simulations?

From: Arneh Babakhani (ababakha_at_mccammon.ucsd.edu)
Date: Fri Jul 27 2007 - 15:21:20 CDT

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Hi ,

I have an odd-ball question . . . .

Can NAMD be used to model a general many-body newtonian system? Say for
instance, a collection of hard spheres moving around and sometimes
colliding with each other, in a confined space . . . and other than
collisions, these spheres have no interaction with each other (no
electrostatics).

I would think yes . . . you just turn off all of the electrostatic
(long-range, non-bonded, etc) interactions and parameters, and you
should be left with a program that just computes F=ma dynamics for your
system (with temp. and pressure coupling possibly) . . . . no??????

Thanks,

Arneh

• Next message: Venky: "guesscoord fails, hydrogen adding problem, output pdb is all zeros"
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