Dear peoples,
I took a pdb, cleaned it up. loaded it into leap, saved a pdb, saved the
inpcrd and prmtop files.
When I load the pdb, everything is fine. when I lod the inpcrd and prmtop,
it looks like a single Nitrogen is stretched out into infinity...
I can't seem to figure out what the deal is. obviously (maybe) attempting
minimization or heating or anything else makes a huge mess.
Does anyone have any insight as to where I am making the mistake?
I can provide lots more details if it's not an obvious error.
Thank,
Jonathan
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Received on Mon Apr 22 2013 - 09:00:03 PDT
