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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Received on Sun Dec 11 2016 - 14:30:03 PST
