From: Richard Wood (rwoodphd_at_yahoo.com)
Date: Sun May 06 2007 - 13:43:28 CDT
I.e., why bother responding if you're going to be like this?
Richard
Richard L. Wood, Ph. D.
rwoodphd_at_yahoo.com
----- Original Message ----
From: Mark Abraham <Mark.Abraham_at_anu.edu.au>
To: NAMD Users List <namd-l_at_ks.uiuc.edu>
Sent: Sunday, May 6, 2007 1:11:51 PM
Subject: Re: namd-l: Simulating air with NAMD
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
simulation.
Mark
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