VMD-L Mailing List

From: Justin Gullingsrud (jgulling_at_mccammon.ucsd.edu)
Date: Thu Dec 04 2003 - 01:17:52 CST

Hi,

On Dec 3, 2003, at 10:05 PM, Mike McCallum wrote:

>
> I seem to remember asking this question before, but I can't seem to
> find any answer, so here goes:
>
> Using psfgen through vmd and tkcon is really a great thing, but what
> if you want to use the psf file in charmm? Charmm will *write* XPLOR
> format psf, but not read. Will psfgen generate charmm-type psf files?
> I'm almost sure that it can, but I can't find it in the docum

Yes:

writepsf charmm foo.psf

will write in charmm format. "writepsf x-plor foo.psf" will write in
x-plor format, as will "writepsf foo.psf".

Cheers,
Justin

> entation.
>
> Thanks!
> --
> C. Michael McCallum
> http://chem.cop.uop.edu/cmmccallum.html
> Associate Professor
> Department of Chemistry, UOP
> mmccallum .at. pacific .dot. edu (209) 946-2636 v /
> (209) 946-2607 fax 

--
It is easier to make a theory of everything, than a theory of 
something. -- Aharon Katchalsky