From: John Stone (
Date: Wed Oct 20 2010 - 13:57:18 CDT

  I must have missed this email while I was out of town at a conference,
but I'm slowly going through my huge inbox and catching up on the emails
that nobody else already answered...

The PSF format used by NAMD (and psfgen) is a variant of the
X-PLOR PSF format. It differs from the CHARMM format in that
CHARMM stores parameter file atom type indices in the atom type
fields whereas NAMD and X-PLOR store strings there that are then
matched against the parameter files, to indicate the atom type.

  John Stone

On Wed, Sep 22, 2010 at 01:18:45PM +0200, Jorgen Simonsen wrote:
> Hi all
> I am trying to generate a psf in the charmm format - no the xplor format.
> So I can generate the file using the parameter
> psf charmm x.psf
> the problem is that when I use this file further on it does not recognize
> it as a charmm psf file - I do not have access to charmm but should they
> not be identical?

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