VMD-L Mailing List

From: Peter Freddolino (petefred_at_ks.uiuc.edu)
Date: Thu Jul 20 2006 - 20:22:05 CDT

Hi Hori,
you should leave in the segment commands but leave out the guesscoord.
The segment commands are necessary to create your molecule.
Peter

hori koshii wrote:
> 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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