Page Comparison

...

Here are the plots for fit7 for the TIG parameters, k1_bondorder1 and k1_bondorder2 for each parameter

Fit7 FF file:

TIG0: [:1]~[#6X3:2]~[#6X3:3]~[:4]

...

TIG1c: [:1]~[#6X3:2](=[#8X1,#16X1])~[#7X3,#7X2-1:3]~[:4]

...

TIG1d: `[:1]~[#6X3:2](~[#7X2])~[#7X3,#7X2-1,#7X2,#7X3+1:3]~[:4]`

...

TIG2: `[:1]~[#6X3:2]~[#7X2,#7X3+1:3]~[:4]`

...

TIG3: `[#6X3:1]~[#6X3:2]~[#6X3:3]~[*:4]`

...

TIG4: `[#7X2:1]@[#6X3:2]~[#6X3:3]@[*:4]`

...

TIG5a: [#7X3,#8X2,#16X2:1]~[#6X3:2]~[#6X3:3](=[#8X1])~[*:4]

...

TIG5b: `[#7X3,#8X2,#16X2:1]@[#6X3:2]~[#6X3:3]@[*:4]`

...

TIG6: `[#6X3:1]~[#6X3:2]~[#7X3,#7X2-1:3]~[*:4]`

...

TIG7: `[#7X2:1]~[#6X3:2]~[#7X3,#7X2-1:3]~[*:4]`

...

TIG8: `[#7X3,#8X2,#16X2:1]@[#6X3:2]~[#7X3,#7X2-1:3]~[*:4]`

...

TIG5a, TIG6, TIG7, TIG8 have gradients that vary on a large scale here.