Thanks, Jason.
I have deleted the line in the master branch. We can safely move on :-)
Best,
James
On Wed, Jun 24, 2015 at 11:52 AM, Jason Swails <jason.swails.gmail.com>
wrote:
> Hi everyone (although probably James in particular),
>
> Someone recently brought up a potential concern within frcmod.ff14SB. In
> particular, there is a line:
>
> HP-CX-CG 50.0 109.50 changed based on NMA nmodes (was CT-CT-HP)
>
> that defines an angle parameter involving atom type CG. However, atom type
> CG doesn't exist in the ff14SB force field (it's not defined in parm10.dat
> or anywhere else). As-is, this line is a no-op and has no effect on the
> force field at all. But could this be a typo? Perhaps it was *intended*
> that CG be replaced with a different atom type? Or can we just delete this
> line and move on?
>
> Thanks,
> Jason
>
> --
> Jason M. Swails
> BioMaPS,
> Rutgers University
> Postdoctoral Researcher
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Received on Thu Jun 25 2015 - 19:30:02 PDT
