[gmx-users] Charmm-Gui output to Gromacs

[Mark Abraham]

Hi,

Charmm-GUI writes GROMACS files natively, doesn't it?

Mark

On Fri, May 4, 2018 at 10:16 AM Frederic Schneider <
frederic.schneider at tu-bs.de> wrote:

> Hello everyone,
>
> i would like to convert the topology files from the output of the
> Charmm-Gui/Glycan Reader(.psf file) to the Gromacs format (.itp, .top).
>
> Is there a preferred script or program to do this task?
>
> Best regards,
>
> Frederic
>
> Frederic Schneider, M.Sc.
> TU Braunschweig
> Institut für Medizinische und
> Pharmazeutische Chemie
> Beethovenstraße 55
> 38106 Braunschweig
> Tel.:+49 (0)5 31/ 391 84 51
>
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