On Mon, Jul 4, 2016 at 8:09 PM, Neha Gandhi <n.gandhiau.gmail.com> wrote:
> Thanks Jason,
>
> Is there a manual for ParmEd commands?
http://ambermd.org/doc12/Amber16.pdf
Section 14.2
> 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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>> AMBER.ambermd.org
>> 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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> http://lists.ambermd.org/mailman/listinfo/amber
--
-------------------------
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Received on Mon Jul 04 2016 - 19:30:03 PDT
