Re: Simulating air with NAMD

From: Mark Abraham (Mark.Abraham_at_anu.edu.au)
Date: Sun May 06 2007 - 20:15:48 CDT

Richard Wood wrote:
> I.e., why bother responding if you're going to be like this?

Richard, I'm getting sick of this harassment. I answered the question
pointing out some pertinent steps they need either to do themselves or
to find out whether someone else has done them and copy/borrow. I didn't
do any of their work for them, which seems to be your regular grievance
with me. I'm one of the most frequent contributors to the GROMACS list,
and not once has anybody objected to the way I answer questions there. I
have better things to do than give free help on this list, and much
better things to do than listen to you complain non-constructively when
I do. If what I'm doing is so wrong, then please teach me what I should
be doing, please explain why I should be doing it, and please explain
why nobody else is objecting.

Mark

> > 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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