[gmx-users] Convert .psf to .top

Kieu Thu Nguyen kieuthu2212 at gmail.com
Thu Dec 27 00:50:15 CET 2012


Thank Francesco :-)


On Wed, Dec 26, 2012 at 11:31 PM, francesco oteri <francesco.oteri at gmail.com
> wrote:

> Hi,
> in vmd there is a package called topotools (
> https://sites.google.com/site/akohlmey/software/topotools).
> This package has the magic command writegmxtop.
> Be carefull 'cause the created .top might miss some information (tipically
> angles and dihedrals)
> so I advice you to carefully check the .top file.
>
> Francesco
>
>
> 2012/12/26 Kieu Thu Nguyen <kieuthu2212 at gmail.com>
>
> > Dear All,
> >
> > Are there any method that can convert CHARMM PSF files to Gromacs
> topology
> > files ?
> >
> > Thank for any help !
> > Best regards,
> >
> > KT
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>
>
> --
> Cordiali saluti, Dr.Oteri Francesco
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