Re: Simulating air with NAMD

From: Mark Abraham (
Date: Sun May 06 2007 - 12:11:51 CDT

Lechuga, Javier wrote:
> Hello,
> How could I find a way to simulate air with NAMD?. I mean pdb, psf and
> prm files.

It's possible, you just need to find a parameter set for gas-phase
simulations (i.e. search the literature) which may need to be converted
to a suitable format (i.e. read the documentation), and generate a
starting structure and topology as you would for a condensed-phase


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