On Sat, Mar 12, 2011, Tru Huynh wrote:
>
> my self compiled ptraj seems to be unable to find the secondary structure
The pdb file vmd (or maybe Molefacture) created is quite non-standard: it kind
of looks like PDB version 3, but the hydrogen names are wrong. As a
guess, try changing the HN atoms to "H", and see if that helps.
....dac
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Received on Sat Mar 12 2011 - 06:00:04 PST
