nbond.str

* Nonbonded option setup
* 

! Set nonbonded options
nbonds atom -
 - ! fswitch -                !! Use force switch for elec-nb interactions
cdie eps 1 -             !! Set constant dielectric value of 1
vdw vfswitch -            !! Set nb VDW using switching function
cutnb 12.0 -             !! Was 15.0 Set nb list cut off to 15A
cutim 12.0 -             !! Was 15.0 Set image nb list cut off to 15A
ctonnb 9.0 ctofnb 10.0 - !! Were 10.0 and 12.0 Switching function used from 10A to 12A for VDW interaction
Ewald -                  !! Use Ewald electrostatics
kappa 0.320 -            !! 0.320 makes direct space decay to 10^-5 at 10 A
pmEwald -                !! Keyword
order 6 -                !! Interpolation order
fftx 80 ffty 80 fftz 80  !! Choose approximate box length