From: Kenno Vanommeslaeghe (kvanomme_at_rx.umaryland.edu)
Date: Thu Jun 27 2013 - 10:50:25 CDT
On 06/27/2013 01:16 AM, James Starlight wrote:
> psfgen) total of 34 atoms
> psfgen) total of 37 bonds
> psfgen) total of 66 angles
> psfgen) total of 99 dihedrals
> psfgen) total of 3 impropers
> psfgen) total of 0 cross-terms
Those are the correct sums as also seen in CHARMM.
> Here you can see that dihedrals and angles for new bond were also included
> in the topology new bond between O3 and P looks strange :)
Can you be a bit more specific? What looks strange about this bond?
Cheers,
Kenno.
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