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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Received on Mon Jul 04 2016 - 19:00:03 PDT
