You can make a pull request on parmed github and then Jason will merge to master branch.
Hai
> On Dec 12, 2016, at 10:50 AM, Brian Radak <brian.radak.accts.gmail.com> wrote:
>
> Excellent - I can report that all of this works as advertised. Is there a
> ParmEd script repository for such things or should I just deposit this
> where CHARMM/NAMD users can find it?
>
> Brian
>
> On Sun, Dec 11, 2016 at 4:15 PM, Jason Swails <jason.swails.gmail.com>
> wrote:
>
>> On Sun, Dec 11, 2016 at 1:21 PM, Brian Radak <brian.radak.accts.gmail.com>
>> wrote:
>>
>>> So what is the correct syntax for loading RTF and PRM files into a PSF
>>> object?
>>>
>>
>> import parmed as pmd
>>
>> psf = pmd.load_file('your.psf')
>> psf.load_parameters(pmd.charmm.CharmmParameterSet(...))
>>
>> Where ... is a list of topology, parameter, and stream files. File type is
>> determined from file names (extensions rtf, prm, par, str, and the presence
>> of par or top if the extension is .inp).
>>
>> All the best,
>> Jason
>>
>> --
>> Jason M. Swails
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>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
>
> --
> Brian Radak
> Postdoctoral Appointee
> Leadership Computing Facility
> Argonne National Laboratory
>
> 9700 South Cass Avenue, Bldg. 240
> Argonne, IL 60439-4854
> (630) 252-8643
> brian.radak.anl.gov
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Mon Dec 12 2016 - 08:00:03 PST
