Thanks Jason,
Is there a manual for ParmEd commands?
I ran the gromber command successfully however I don't see any output files
in the directory. :(
On 5 July 2016 at 11:50, Jason Swails <jason.swails.gmail.com> wrote:
> On Mon, Jul 4, 2016 at 4:26 AM, Neha Gandhi <n.gandhiau.gmail.com> wrote:
>
> > Hi List (Jason),
> >
> > I compiled ParmEd after downloading from git source. It compiled (python
> > setup.py install) without any errors.
>
>
> > I am interested in converting gromacs topologies to AMBER. However, using
> > the below command, I get commands not recognised. Am I missing libraries
> or
> > toolkits? How can I install these?
> >
>
> The easiest way to do this is to use the "gromber" command when running
> the "parmed" program.
>
> So first step, run "parmed" from the command line. Second step, run the
> command "help gromber" to get help on how to use the syntax of that
> command.
>
> What you are trying to do is to write a Python script to do the conversion
> for you. If you are not experienced with Python, then using parmed
> directly will probably be easier.
>
> HTH,
> Jason
>
>
>
> --
> Jason M. Swails
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Regards,
Dr. Neha S. Gandhi,
Vice Chancellor's Research Fellow,
Queensland University of Technology,
2 George Street, Brisbane, QLD 4000
Australia
LinkedIn
Research Gate
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Received on Mon Jul 04 2016 - 19:30:02 PDT
