[AMBER-Developers] ff14SB strange parameter assignment

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 24 Jun 2015 11:52:07 -0400

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 Wed Jun 24 2015 - 09:00:04 PDT
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