VMD-L Mailing List

From: hori koshii (phorikoshii_at_yahoo.com)
Date: Thu Jul 20 2006 - 15:09:14 CDT

Hi, can anyone tell me how to generate psf for a structure that already has hydrogens added?
 
 I did something similar to the tutorial scripts, when when I took out guesscoord or segment commands, it won't work, and the cysteine residues mess up too.
 
 I just want to keep the hydrogen the way it is,, and create a corresponding psf,, anyone with any idea how?
 
                 
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