On 5/4/18 5:35 AM, Mark Abraham wrote:
Hi,
Charmm-GUI writes GROMACS files natively, doesn't it?
It does. I haven't run the Glycan Reader directly but it is embedded as
a component of the Quick MD Simulator, which gives all necessary GROMACS
input files (coordinates, topology, and .mdp).
Hi,
Charmm-GUI writes GROMACS files natively, doesn't it?
Mark
On Fri, May 4, 2018 at 10:16 AM Frederic Schneider <
frederic.schnei...@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
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
