> As I'd like to use ptraj to analyze someone else's trajectories (run using
> X-PLOR .psf files in NAMD), this feature would be really useful for me.
...for much analysis in ptraj you can get away with using a PDB file
instead of a prmtop (and/or the .psf). Ptraj "should" handle all PSF
files and if not I need to fix it.
However, for non-ptraj (i.e. MM-PBSA) then getting CHAMBER working is
appropriate (and shouldn't be too hard).
--tec3
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Received on Thu Sep 15 2011 - 05:30:04 PDT
