On Sat, Jan 20, 2024, Siavoush Dastmalchi wrote:
>Many thanks for your kind reply.As far as I understand gnd.itp and
>gnd.gro are topology and structure files, respectively. I saw in the
>internet that people suggested the followings for using "parmed" for file
>conversion:
>If I just call parmed by typing "/opt/apps/amber14/bin/parmed.py" or simply
>"parmed.py", I can go into parmed environment and get the following prompt:
>ParmEd: a Parameter file Editor
Note that amber14 is now ten years old, and a *lot* has happened to parmed
in that time frame. I'd suggest getting AmberTools23 from
https://ambermd.org/GetAmber.php. If you just want to update ParmEd, go
to
https://github.com/ParmEd/ParmEd. Note that the README.md file there has
an example of coverting to and from Gromacs to Amber topologies.
...hope this helps....dac
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Received on Sat Jan 20 2024 - 15:30:02 PST
