Re: Simulating air with NAMD

From: Richard Wood (
Date: Sun May 06 2007 - 13:43:28 CDT

I.e., why bother responding if you're going to be like this?

Richard L. Wood, Ph. D.

----- Original Message ----
From: Mark Abraham <>
To: NAMD Users List <>
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


Sucker-punch spam with award-winning protection.
Try the free Yahoo! Mail Beta.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:44:38 CST