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
